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

C16H19N3O2S — CID 67452077

IUPAC1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H19N3O2S/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)
InChIKeyJQVLVNBDNVSGET-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.52
Rot. Bonds4

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

1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 67452077) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID67452077
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C16H19N3O2S/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)
InChIKeyJQVLVNBDNVSGET-UHFFFAOYSA-N
XLogP2.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-(3,4-Dihydro-2H-Benzo[B][1,4]Dioxepin-7-yl)Thiazol-2-yl)Piperidine-4-Carboxylic Acid
CID 46907666
1-[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-N-phenylpiperidine-4-carboxamide
CID 46907686
ethyl 1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxylate
CID 46907687
1-[5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907695
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907698
1-(5-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)thiazol-2-yl)piperidine-4-carboxamide
CID 46907699
1-[5-(3-Propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907708
1-[5-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907748
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-[(4-methoxyphenyl)methyl]acetamide
CID 163368455
US10913733, Example 42
CID 137361278
2-(3,4-dimethoxyphenyl)-N-[5-[4-(4-piperidin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 156022269
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 67452077) is 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is JQVLVNBDNVSGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/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-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67452077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).