N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H23N3O2S2 — CID 18205216

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)cc1C
InChIInChI=1S/C22H23N3O2S2/c1-14-5-6-17(12-15(14)2)18-13-29-22(23-18)24-20(26)16-7-9-25(10-8-16)21(27)19-4-3-11-28-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyHYCKUGHBWANIPO-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.98
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 18205216) has the molecular formula C22H23N3O2S2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID18205216
Molecular FormulaC22H23N3O2S2
Molecular Weight425.58 g/mol
Exact Mass425.12
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)cc1C
InChIInChI=1S/C22H23N3O2S2/c1-14-5-6-17(12-15(14)2)18-13-29-22(23-18)24-20(26)16-7-9-25(10-8-16)21(27)19-4-3-11-28-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,24,26)
InChIKeyHYCKUGHBWANIPO-UHFFFAOYSA-N
XLogP4.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820043
1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26174874
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55556644
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55335865
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 18205216) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is HYCKUGHBWANIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2/c1-14-5-6-17(12-15(14)2)18-13-29-22(23-18)24-20(26)16-7-9-25(10-8-16)21(27)19-4-3-11-28-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 18205216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).