1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C20H22N6OS — CID 3228288

IUPAC1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(-c2ccccc2)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C20H22N6OS/c1-13-12-17(15-6-4-3-5-7-15)22-19(21-13)26-10-8-16(9-11-26)18(27)23-20-25-24-14(2)28-20/h3-7,12,16H,8-11H2,1-2H3,(H,23,25,27)
InChIKeyATNQQUDWKFSQMP-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 3228288) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID3228288
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(-c2ccccc2)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1
InChIInChI=1S/C20H22N6OS/c1-13-12-17(15-6-4-3-5-7-15)22-19(21-13)26-10-8-16(9-11-26)18(27)23-20-25-24-14(2)28-20/h3-7,12,16H,8-11H2,1-2H3,(H,23,25,27)
InChIKeyATNQQUDWKFSQMP-UHFFFAOYSA-N
XLogP3.47
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 7436330
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108793940
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
[4-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]phenyl] thiocyanate
CID 108793930
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
1-(4,6-dimethylpyrimidin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 108793963
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 3228288) is 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1.
What is the InChIKey of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ATNQQUDWKFSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-13-12-17(15-6-4-3-5-7-15)22-19(21-13)26-10-8-16(9-11-26)18(27)23-20-25-24-14(2)28-20/h3-7,12,16H,8-11H2,1-2H3,(H,23,25,27).
What are the key properties of 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3228288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).