1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

C12H15N3OS — CID 47353064

IUPAC1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C12H15N3OS/c1-9-15-10(7-17-9)6-14-11(16)12(8-13)4-2-3-5-12/h7H,2-6H2,1H3,(H,14,16)
InChIKeyBNSZNRAOGQQESX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.15
Rot. Bonds3

About 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 47353064) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID47353064
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CNC(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C12H15N3OS/c1-9-15-10(7-17-9)6-14-11(16)12(8-13)4-2-3-5-12/h7H,2-6H2,1H3,(H,14,16)
InChIKeyBNSZNRAOGQQESX-UHFFFAOYSA-N
XLogP2.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 47353064) is 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is Cc1nc(CNC(=O)C2(C#N)CCCC2)cs1.
What is the InChIKey of 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BNSZNRAOGQQESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9-15-10(7-17-9)6-14-11(16)12(8-13)4-2-3-5-12/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47353064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).