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

C16H19N3OS2 — CID 46907676

IUPAC1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCSc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1
InChIInChI=1S/C16H19N3OS2/c1-21-13-4-2-11(3-5-13)14-10-18-16(22-14)19-8-6-12(7-9-19)15(17)20/h2-5,10,12H,6-9H2,1H3,(H2,17,20)
InChIKeyZFIWZVVHNRUILB-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.23
Rot. Bonds4

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

1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907676) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907676
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCSc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1
InChIInChI=1S/C16H19N3OS2/c1-21-13-4-2-11(3-5-13)14-10-18-16(22-14)19-8-6-12(7-9-19)15(17)20/h2-5,10,12H,6-9H2,1H3,(H2,17,20)
InChIKeyZFIWZVVHNRUILB-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-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2083675
N-(5-cyclobutylthiazol-2-yl)-2-phenylacetamide
CID 9921612
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CID 16760027
N-(5-Ethylthiazol-2-yl)-2-phenylacetamide
CID 44396065
1-[5-(4-Bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907662
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
1-[5-(3-Pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907702
1-[5-(4-Chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907728
1-[5-(4-Methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907733
N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86275056

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907676) is 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CSc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1.
What is the InChIKey of 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ZFIWZVVHNRUILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-21-13-4-2-11(3-5-13)14-10-18-16(22-14)19-8-6-12(7-9-19)15(17)20/h2-5,10,12H,6-9H2,1H3,(H2,17,20).
What are the key properties of 1-[5-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(4-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-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).