2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

C21H23N5O2S — CID 55790830

IUPAC2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C21H23N5O2S/c1-14-5-3-4-6-17(14)19(27)23-16-7-9-26(10-8-16)21(28)18-13-29-20(24-18)15-11-22-25(2)12-15/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,27)
InChIKeyQCMGRTSUXBKXOY-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (PubChem CID 55790830) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
PubChem CID55790830
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C21H23N5O2S/c1-14-5-3-4-6-17(14)19(27)23-16-7-9-26(10-8-16)21(28)18-13-29-20(24-18)15-11-22-25(2)12-15/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,27)
InChIKeyQCMGRTSUXBKXOY-UHFFFAOYSA-N
XLogP2.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
N-[1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 34424164
N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167925289
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-[5-(hydroxymethyl)-3-methylfuran-2-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 126805706
[7-(2-methylphenyl)-1,4-thiazepan-4-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 90631069
2-fluoro-N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 86967605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide (CID 55790830) is 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is QCMGRTSUXBKXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-5-3-4-6-17(14)19(27)23-16-7-9-26(10-8-16)21(28)18-13-29-20(24-18)15-11-22-25(2)12-15/h3-6,11-13,16H,7-10H2,1-2H3,(H,23,27).
What are the key properties of 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 409.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55790830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).