4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide

C9H10N4OS2 — CID 116671061

IUPAC4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccsc2)s1
InChIInChI=1S/C9H10N4OS2/c1-11-9-13-7(10)6(16-9)8(14)12-5-2-3-15-4-5/h2-4H,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyHHWFRUVSHONHQG-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 116671061) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID116671061
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)Nc2ccsc2)s1
InChIInChI=1S/C9H10N4OS2/c1-11-9-13-7(10)6(16-9)8(14)12-5-2-3-15-4-5/h2-4H,10H2,1H3,(H,11,13)(H,12,14)
InChIKeyHHWFRUVSHONHQG-UHFFFAOYSA-N
XLogP2.08
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-N-(3-chloro-5-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107371265
4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671420
4-amino-N-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668356
4-amino-N-(2,4-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668417
4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116665663
4-amino-N-(2-chloro-4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 107605093
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 116671061) is 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)Nc2ccsc2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HHWFRUVSHONHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS2/c1-11-9-13-7(10)6(16-9)8(14)12-5-2-3-15-4-5/h2-4H,10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 254.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).