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

C17H20N4O2S — CID 46907660

IUPAC1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H20N4O2S/c1-11(22)19-14-4-2-12(3-5-14)15-10-24-17(20-15)21-8-6-13(7-9-21)16(18)23/h2-5,10,13H,6-9H2,1H3,(H2,18,23)(H,19,22)
InChIKeyUEQMGBUOQIMFCR-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.47
Rot. Bonds4

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

1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907660) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907660
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H20N4O2S/c1-11(22)19-14-4-2-12(3-5-14)15-10-24-17(20-15)21-8-6-13(7-9-21)16(18)23/h2-5,10,13H,6-9H2,1H3,(H2,18,23)(H,19,22)
InChIKeyUEQMGBUOQIMFCR-UHFFFAOYSA-N
XLogP2.47
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907689
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 67236104
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907660) is 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is CC(=O)Nc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is UEQMGBUOQIMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11(22)19-14-4-2-12(3-5-14)15-10-24-17(20-15)21-8-6-13(7-9-21)16(18)23/h2-5,10,13H,6-9H2,1H3,(H2,18,23)(H,19,22).
What are the key properties of 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).