N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide

C9H12N2OS — CID 131089125

IUPACN-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CC2)ns1
InChIInChI=1S/C9H12N2OS/c1-6-5-8(10-13-6)9(12)11(2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyWDJAWIRZYDBUNL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.69
Rot. Bonds2

About N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide

N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide (PubChem CID 131089125) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide
PubChem CID131089125
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CC2)ns1
InChIInChI=1S/C9H12N2OS/c1-6-5-8(10-13-6)9(12)11(2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyWDJAWIRZYDBUNL-UHFFFAOYSA-N
XLogP1.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide (CID 131089125) is N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CC2)ns1.
What is the InChIKey of N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide?
The InChIKey is WDJAWIRZYDBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-5-8(10-13-6)9(12)11(2)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide?
N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide has a molecular weight of 196.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,5-dimethyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 131089125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).