1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C16H19N3OS2 — CID 67452061

IUPAC1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCSc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H19N3OS2/c1-21-13-4-2-3-12(9-13)14-10-18-16(22-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20)
InChIKeyVLCIFJIMOLWNIP-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.23
Rot. Bonds4

About 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 67452061) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID67452061
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCSc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H19N3OS2/c1-21-13-4-2-3-12(9-13)14-10-18-16(22-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20)
InChIKeyVLCIFJIMOLWNIP-UHFFFAOYSA-N
XLogP3.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907745
1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907664
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907698
1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907748
1-[5-[6-[(4-acetyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 58706710
5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698569
2-[ethyl-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]amino]acetic acid
CID 122062259
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
CID 91837200
(3S,4S)-1-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 136582885
ethyl 1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 46907687
2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 133359105
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 67452061) is 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CSc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VLCIFJIMOLWNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-21-13-4-2-3-12(9-13)14-10-18-16(22-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20).
What are the key properties of 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67452061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).