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

C13H17N3OS — CID 47445148

IUPAC1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C13H17N3OS/c1-10-15-11(8-18-10)7-16(2)12(17)13(9-14)5-3-4-6-13/h8H,3-7H2,1-2H3
InChIKeyCKTIUFUEJPZRLV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.49
Rot. Bonds3

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

1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 47445148) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID47445148
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1
InChIInChI=1S/C13H17N3OS/c1-10-15-11(8-18-10)7-16(2)12(17)13(9-14)5-3-4-6-13/h8H,3-7H2,1-2H3
InChIKeyCKTIUFUEJPZRLV-UHFFFAOYSA-N
XLogP2.49
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 47445148) is 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is Cc1nc(CN(C)C(=O)C2(C#N)CCCC2)cs1.
What is the InChIKey of 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is CKTIUFUEJPZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-15-11(8-18-10)7-16(2)12(17)13(9-14)5-3-4-6-13/h8H,3-7H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47445148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).