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

C10H11N3OS2 — CID 63048047

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cscn2)n1
InChIInChI=1S/C10H11N3OS2/c1-6(2)7-4-16-10(12-7)13-9(14)8-3-15-5-11-8/h3-6H,1-2H3,(H,12,13,14)
InChIKeyJUUWYQBSXIVDDR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.98
Rot. Bonds3

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

N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63048047) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID63048047
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cscn2)n1
InChIInChI=1S/C10H11N3OS2/c1-6(2)7-4-16-10(12-7)13-9(14)8-3-15-5-11-8/h3-6H,1-2H3,(H,12,13,14)
InChIKeyJUUWYQBSXIVDDR-UHFFFAOYSA-N
XLogP2.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
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
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
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
5-(3-hydroxyprop-1-ynyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62957931
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 167917069
2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289591
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 63048047) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)c1csc(NC(=O)c2cscn2)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JUUWYQBSXIVDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-6(2)7-4-16-10(12-7)13-9(14)8-3-15-5-11-8/h3-6H,1-2H3,(H,12,13,14).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).