2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide

C14H22N2O3S2 — CID 96563419

IUPAC2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)N[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S2/c1-9(8-21(3,18)19)15-13(17)12-10(2)16-14(20-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyRFRNFLOTOHBSCZ-SECBINFHSA-N
MW330.48 g/mol
LogP2.27
Rot. Bonds5

About 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide

2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 96563419) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID96563419
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC Name2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)N[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C14H22N2O3S2/c1-9(8-21(3,18)19)15-13(17)12-10(2)16-14(20-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,15,17)/t9-/m1/s1
InChIKeyRFRNFLOTOHBSCZ-SECBINFHSA-N
XLogP2.27
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 96563419) is 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCC2)sc1C(=O)N[C@H](C)CS(C)(=O)=O.
What is the InChIKey of 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFRNFLOTOHBSCZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-9(8-21(3,18)19)15-13(17)12-10(2)16-14(20-12)11-6-4-5-7-11/h9,11H,4-8H2,1-3H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide?
2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 96563419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).