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

C11H13N3OS — CID 15280154

IUPACN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide
SMILESCC(C)c1nsc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C11H13N3OS/c1-6(2)9-8(5-12)11(16-14-9)13-10(15)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyJPBBLFJKWLDILH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.49
Rot. Bonds3

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

N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide (PubChem CID 15280154) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide
PubChem CID15280154
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide
SMILESCC(C)c1nsc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C11H13N3OS/c1-6(2)9-8(5-12)11(16-14-9)13-10(15)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyJPBBLFJKWLDILH-UHFFFAOYSA-N
XLogP2.49
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide (CID 15280154) is N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide is CC(C)c1nsc(NC(=O)C2CC2)c1C#N.
What is the InChIKey of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide?
The InChIKey is JPBBLFJKWLDILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6(2)9-8(5-12)11(16-14-9)13-10(15)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide?
N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-propan-2-yl-1,2-thiazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 15280154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).