3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

C17H18ClN3O2S — CID 1468320

IUPAC3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C17H18ClN3O2S/c1-11-14(16(23)21-8-3-2-4-9-21)24-17(19-11)20-15(22)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9H2,1H3,(H,19,20,22)
InChIKeyOBXVSBYUBCOKIZ-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide

3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1468320) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1468320
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C17H18ClN3O2S/c1-11-14(16(23)21-8-3-2-4-9-21)24-17(19-11)20-15(22)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9H2,1H3,(H,19,20,22)
InChIKeyOBXVSBYUBCOKIZ-UHFFFAOYSA-N
XLogP3.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001282
1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897133
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
1-(4-chlorophenyl)-3-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897565
1-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897007
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 1468320) is 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1.
What is the InChIKey of 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is OBXVSBYUBCOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-11-14(16(23)21-8-3-2-4-9-21)24-17(19-11)20-15(22)12-6-5-7-13(18)10-12/h5-7,10H,2-4,8-9H2,1H3,(H,19,20,22).
What are the key properties of 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide?
3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 363.87 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1468320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).