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

C9H12N2OS — CID 19029639

IUPACN-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCCc1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H12N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyWTWNVGGDWJNNBK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.05
Rot. Bonds3

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

N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 19029639) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID19029639
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCCc1cnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H12N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12)
InChIKeyWTWNVGGDWJNNBK-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 19029639) is N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is CCc1cnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is WTWNVGGDWJNNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-7-5-10-9(13-7)11-8(12)6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 196.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 19029639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).