4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C20H24N6OS — CID 167967283

IUPAC4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCNCC2)sc1C(=O)NC(c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C20H24N6OS/c1-14-18(28-20(23-14)26-10-8-21-9-11-26)19(27)24-17(15-6-4-3-5-7-15)16-12-22-25(2)13-16/h3-7,12-13,17,21H,8-11H2,1-2H3,(H,24,27)
InChIKeyNROPLKKMNLFTQE-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.11
Rot. Bonds5

About 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 167967283) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID167967283
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCNCC2)sc1C(=O)NC(c1ccccc1)c1cnn(C)c1
InChIInChI=1S/C20H24N6OS/c1-14-18(28-20(23-14)26-10-8-21-9-11-26)19(27)24-17(15-6-4-3-5-7-15)16-12-22-25(2)13-16/h3-7,12-13,17,21H,8-11H2,1-2H3,(H,24,27)
InChIKeyNROPLKKMNLFTQE-UHFFFAOYSA-N
XLogP2.11
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 167967283) is 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCNCC2)sc1C(=O)NC(c1ccccc1)c1cnn(C)c1.
What is the InChIKey of 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NROPLKKMNLFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-14-18(28-20(23-14)26-10-8-21-9-11-26)19(27)24-17(15-6-4-3-5-7-15)16-12-22-25(2)13-16/h3-7,12-13,17,21H,8-11H2,1-2H3,(H,24,27).
What are the key properties of 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167967283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).