2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C10H12N4OS2 — CID 55115833

IUPAC2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2csc(N)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-5(2)6-3-17-10(13-6)14-8(15)7-4-16-9(11)12-7/h3-5H,1-2H3,(H2,11,12)(H,13,14,15)
InChIKeyWGFYGBQLSKSLIB-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55115833) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID55115833
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2csc(N)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-5(2)6-3-17-10(13-6)14-8(15)7-4-16-9(11)12-7/h3-5H,1-2H3,(H2,11,12)(H,13,14,15)
InChIKeyWGFYGBQLSKSLIB-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 30715660
4-amino-1-propan-2-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479491
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
5-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 103604372
1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 107497913
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 55115833) is 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)c1csc(NC(=O)c2csc(N)n2)n1.
What is the InChIKey of 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WGFYGBQLSKSLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-5(2)6-3-17-10(13-6)14-8(15)7-4-16-9(11)12-7/h3-5H,1-2H3,(H2,11,12)(H,13,14,15).
What are the key properties of 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55115833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).