N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

C15H19N3OS2 — CID 71994980

IUPACN-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1(C#N)CCSC1
InChIInChI=1S/C15H19N3OS2/c1-10-12(21-14(17-10)11-4-2-3-5-11)13(19)18-15(8-16)6-7-20-9-15/h11H,2-7,9H2,1H3,(H,18,19)
InChIKeyKNKJNAUCWGGTCR-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.24
Rot. Bonds3

About N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71994980) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID71994980
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1(C#N)CCSC1
InChIInChI=1S/C15H19N3OS2/c1-10-12(21-14(17-10)11-4-2-3-5-11)13(19)18-15(8-16)6-7-20-9-15/h11H,2-7,9H2,1H3,(H,18,19)
InChIKeyKNKJNAUCWGGTCR-UHFFFAOYSA-N
XLogP3.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (CID 71994980) is N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCC2)sc1C(=O)NC1(C#N)CCSC1.
What is the InChIKey of N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KNKJNAUCWGGTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-12(21-14(17-10)11-4-2-3-5-11)13(19)18-15(8-16)6-7-20-9-15/h11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiolan-3-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71994980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).