N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

C16H19N3OS2 — CID 119270252

IUPACN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C16H19N3OS2/c1-21-12-7-5-11(6-8-12)14-10-22-16(18-14)19-15(20)13-4-2-3-9-17-13/h5-8,10,13,17H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyWWTVLWRKJWYNAP-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.61
Rot. Bonds4

About N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 119270252) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
PubChem CID119270252
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC NameN-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESCSc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1
InChIInChI=1S/C16H19N3OS2/c1-21-12-7-5-11(6-8-12)14-10-22-16(18-14)19-15(20)13-4-2-3-9-17-13/h5-8,10,13,17H,2-4,9H2,1H3,(H,18,19,20)
InChIKeyWWTVLWRKJWYNAP-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 112767500
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119282683
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287667
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119271989
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 55757639
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119340374
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 119270252) is N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is CSc1ccc(-c2csc(NC(=O)C3CCCCN3)n2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The InChIKey is WWTVLWRKJWYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-21-12-7-5-11(6-8-12)14-10-22-16(18-14)19-15(20)13-4-2-3-9-17-13/h5-8,10,13,17H,2-4,9H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 119270252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).