4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide

C20H23N5OS — CID 166298901

IUPAC4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CCNCC2)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C20H23N5OS/c1-13-19(27-18(24-13)9-14-5-7-21-8-6-14)20(26)25-17-4-2-3-15(10-17)16-11-22-23-12-16/h2-4,10-12,14,21H,5-9H2,1H3,(H,22,23)(H,25,26)
InChIKeyKIBUULQCVWWWKW-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.64
Rot. Bonds5

About 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 166298901) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID166298901
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC2CCNCC2)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C20H23N5OS/c1-13-19(27-18(24-13)9-14-5-7-21-8-6-14)20(26)25-17-4-2-3-15(10-17)16-11-22-23-12-16/h2-4,10-12,14,21H,5-9H2,1H3,(H,22,23)(H,25,26)
InChIKeyKIBUULQCVWWWKW-UHFFFAOYSA-N
XLogP3.64
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 166298901) is 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(CC2CCNCC2)sc1C(=O)Nc1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KIBUULQCVWWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-19(27-18(24-13)9-14-5-7-21-8-6-14)20(26)25-17-4-2-3-15(10-17)16-11-22-23-12-16/h2-4,10-12,14,21H,5-9H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166298901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).