4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide

C7H6N4OS3 — CID 4275223

IUPAC4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
SMILESNc1[nH]c(=S)sc1C(=O)Nc1nccs1
InChIInChI=1S/C7H6N4OS3/c8-4-3(15-7(13)10-4)5(12)11-6-9-1-2-14-6/h1-2H,8H2,(H,10,13)(H,9,11,12)
InChIKeyACSXUKBNZIARGP-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.10
Rot. Bonds2

About 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide

4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide (PubChem CID 4275223) has the molecular formula C7H6N4OS3 and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
PubChem CID4275223
Molecular FormulaC7H6N4OS3
Molecular Weight258.35 g/mol
Exact Mass257.97
IUPAC Name4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
SMILESNc1[nH]c(=S)sc1C(=O)Nc1nccs1
InChIInChI=1S/C7H6N4OS3/c8-4-3(15-7(13)10-4)5(12)11-6-9-1-2-14-6/h1-2H,8H2,(H,10,13)(H,9,11,12)
InChIKeyACSXUKBNZIARGP-UHFFFAOYSA-N
XLogP2.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide (CID 4275223) is 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide is Nc1[nH]c(=S)sc1C(=O)Nc1nccs1.
What is the InChIKey of 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide?
The InChIKey is ACSXUKBNZIARGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS3/c8-4-3(15-7(13)10-4)5(12)11-6-9-1-2-14-6/h1-2H,8H2,(H,10,13)(H,9,11,12).
What are the key properties of 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide?
4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4275223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).