N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C9H12N2OS — CID 903546

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C
InChIInChI=1S/C9H12N2OS/c1-5-6(2)13-9(10-5)11-8(12)7-3-4-7/h7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPLNLJGPWQVTNHJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.11
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 903546) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID903546
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1C
InChIInChI=1S/C9H12N2OS/c1-5-6(2)13-9(10-5)11-8(12)7-3-4-7/h7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyPLNLJGPWQVTNHJ-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 903546) is N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is Cc1nc(NC(=O)C2CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is PLNLJGPWQVTNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-5-6(2)13-9(10-5)11-8(12)7-3-4-7/h7H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 196.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 903546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).