N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

C11H16N2OS2 — CID 16849954

IUPACN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCSCc1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C11H16N2OS2/c1-15-6-9-7-16-11(12-9)13-10(14)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyGSCFEQXDLCBWOH-UHFFFAOYSA-N
MW256.40 g/mol
LogP3.13
Rot. Bonds4

About N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 16849954) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID16849954
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESCSCc1csc(NC(=O)C2CCCC2)n1
InChIInChI=1S/C11H16N2OS2/c1-15-6-9-7-16-11(12-9)13-10(14)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyGSCFEQXDLCBWOH-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 836485
N-(4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2679296
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 1244149
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 1441341
2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30588636
3-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 879728
3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 3902865
N-(4-cyclohexylthiazol-2-yl)propionamide
CID 5141035
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopentylacetamide
CID 166626463
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 166632529

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 16849954) is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is CSCc1csc(NC(=O)C2CCCC2)n1.
What is the InChIKey of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is GSCFEQXDLCBWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-15-6-9-7-16-11(12-9)13-10(14)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 256.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 16849954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).