2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C11H12N4OS2 — CID 45493436

IUPAC2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(NC3CC3)n2)s1
InChIInChI=1S/C11H12N4OS2/c1-6-4-12-10(18-6)15-9(16)8-5-17-11(14-8)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyPBIDPTLIAFVEAI-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 45493436) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID45493436
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2csc(NC3CC3)n2)s1
InChIInChI=1S/C11H12N4OS2/c1-6-4-12-10(18-6)15-9(16)8-5-17-11(14-8)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14)(H,12,15,16)
InChIKeyPBIDPTLIAFVEAI-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 45493436) is 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(NC(=O)c2csc(NC3CC3)n2)s1.
What is the InChIKey of 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PBIDPTLIAFVEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-6-4-12-10(18-6)15-9(16)8-5-17-11(14-8)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,14)(H,12,15,16).
What are the key properties of 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45493436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).