N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide

C9H12N4O2S2 — CID 54962805

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
SMILESCc1csc(CNC(=O)C(=O)NCC(N)=S)n1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-17-7(13-5)3-12-9(15)8(14)11-2-6(10)16/h4H,2-3H2,1H3,(H2,10,16)(H,11,14)(H,12,15)
InChIKeyLJSJEASEALSKJL-UHFFFAOYSA-N
MW272.36 g/mol
LogP-0.53
Rot. Bonds4

About N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide (PubChem CID 54962805) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
PubChem CID54962805
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
SMILESCc1csc(CNC(=O)C(=O)NCC(N)=S)n1
InChIInChI=1S/C9H12N4O2S2/c1-5-4-17-7(13-5)3-12-9(15)8(14)11-2-6(10)16/h4H,2-3H2,1H3,(H2,10,16)(H,11,14)(H,12,15)
InChIKeyLJSJEASEALSKJL-UHFFFAOYSA-N
XLogP-0.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
N-(2-amino-2-sulfanylideneethyl)-N'-(4-propan-2-yl-1,3-thiazol-2-yl)oxamide
CID 54959134
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 25480153
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide (CID 54962805) is N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide is Cc1csc(CNC(=O)C(=O)NCC(N)=S)n1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
The InChIKey is LJSJEASEALSKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-5-4-17-7(13-5)3-12-9(15)8(14)11-2-6(10)16/h4H,2-3H2,1H3,(H2,10,16)(H,11,14)(H,12,15).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide has a molecular weight of 272.36 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide is sourced from PubChem (CID 54962805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).