azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid — IUPAC name, SMILES, InChIKey & properties

Name: azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid

azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 162236499) has the molecular formula C34H41ClN6O8S16 and a molecular weight of 1210.26 g/mol. Its IUPAC name is azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name	azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID	162236499
Molecular Formula	C34H41ClN6O8S16
Molecular Weight	1210.26 g/mol
Exact Mass	1207.82
IUPAC Name	azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
SMILES	CC(C)(C)SC(=O)CC(=O)C1(C)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.N.O=C(O)c1csc(-c2csc(CCl)n2)n1.S=S=S=S=S=S=S=S=S=S=S
InChI	InChI=1S/C15H15N3O4S2.C11H18O2S.C8H5ClN2O2S2.H3N.S11/c1-15(2-3-15)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;1-10(2,3)14-9(13)7-8(12)11(4)5-6-11;9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13;;1-3-5-7-9-11-10-8-6-4-2/h6-7H,2-5H2,1H3,(H,16,20)(H,21,22);5-7H2,1-4H3;2-3H,1H2,(H,12,13);1H3;
InChIKey	QQDRDAUCOMFYOX-UHFFFAOYSA-N
XLogP	7.98
TPSA	241.47 Å²
H-Bond Donors	4
H-Bond Acceptors	18
Rotatable Bonds	13
Heavy Atoms	65
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.26
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid?

The IUPAC name of azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid (CID 162236499) is azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)SC(=O)CC(=O)C1(C)CC1.CC1(C(=O)CC(=O)NCc2nc(-c3nc(C(=O)O)cs3)cs2)CC1.N.O=C(O)c1csc(-c2csc(CCl)n2)n1.S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid?

The InChIKey is QQDRDAUCOMFYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2.C11H18O2S.C8H5ClN2O2S2.H3N.S11/c1-15(2-3-15)10(19)4-11(20)16-5-12-17-8(6-23-12)13-18-9(7-24-13)14(21)22;1-10(2,3)14-9(13)7-8(12)11(4)5-6-11;9-1-6-10-4(2-14-6)7-11-5(3-15-7)8(12)13;;1-3-5-7-9-11-10-8-6-4-2/h6-7H,2-5H2,1H3,(H,16,20)(H,21,22);5-7H2,1-4H3;2-3H,1H2,(H,12,13);1H3;.

What are the key properties of azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid?

Where does this data come from?

All data for azane;bis[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;S-tert-butyl 3-(1-methylcyclopropyl)-3-oxopropanethioate;2-[2-(chloromethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid;2-[2-[[[3-(1-methylcyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 162236499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).