N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

C22H23N3OS — CID 120557670

IUPACN-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC1CNCCC1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H23N3OS/c1-15-14-23-13-12-18(15)24-21(26)20-19(16-8-4-2-5-9-16)25-22(27-20)17-10-6-3-7-11-17/h2-11,15,18,23H,12-14H2,1H3,(H,24,26)
InChIKeyXIRNUIDQARTCCM-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.20
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 120557670) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID120557670
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESCC1CNCCC1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H23N3OS/c1-15-14-23-13-12-18(15)24-21(26)20-19(16-8-4-2-5-9-16)25-22(27-20)17-10-6-3-7-11-17/h2-11,15,18,23H,12-14H2,1H3,(H,24,26)
InChIKeyXIRNUIDQARTCCM-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 120557037
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
N-[(3R)-2-oxoazepan-3-yl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 94130735
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
4-methyl-N-(2-methylpiperidin-3-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 120573888
N-(3-methylpiperidin-4-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 120553539
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-(3-methylpiperidin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120553090
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120555681
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 120557670) is N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is CC1CNCCC1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is XIRNUIDQARTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-14-23-13-12-18(15)24-21(26)20-19(16-8-4-2-5-9-16)25-22(27-20)17-10-6-3-7-11-17/h2-11,15,18,23H,12-14H2,1H3,(H,24,26).
What are the key properties of N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 120557670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).