2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H13N3OS2 — CID 65241812

IUPAC2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2csc(N)n2)sc1C
InChIInChI=1S/C11H13N3OS2/c1-6-3-8(17-7(6)2)4-13-10(15)9-5-16-11(12)14-9/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyZBSJGWBTPABGNL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 65241812) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID65241812
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2csc(N)n2)sc1C
InChIInChI=1S/C11H13N3OS2/c1-6-3-8(17-7(6)2)4-13-10(15)9-5-16-11(12)14-9/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyZBSJGWBTPABGNL-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazine-2-carboxamide
CID 107257832
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(methylamino)pyrazine-2-carboxamide
CID 107375938
2-amino-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122568398
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3,6-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 65243704
2-hydroxyethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
CID 79348993
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 65241812) is 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1cc(CNC(=O)c2csc(N)n2)sc1C.
What is the InChIKey of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZBSJGWBTPABGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-6-3-8(17-7(6)2)4-13-10(15)9-5-16-11(12)14-9/h3,5H,4H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65241812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).