4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide

C20H23N5OS — CID 138585148

IUPAC4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)N(c2ccn(-c3ccccc3)n2)C2CCN(C)CC2)n1
InChIInChI=1S/C20H23N5OS/c1-15-14-27-19(21-15)20(26)25(17-8-11-23(2)12-9-17)18-10-13-24(22-18)16-6-4-3-5-7-16/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3
InChIKeyFVKXQEVCVVUPSQ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide

4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 138585148) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID138585148
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)N(c2ccn(-c3ccccc3)n2)C2CCN(C)CC2)n1
InChIInChI=1S/C20H23N5OS/c1-15-14-27-19(21-15)20(26)25(17-8-11-23(2)12-9-17)18-10-13-24(22-18)16-6-4-3-5-7-16/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3
InChIKeyFVKXQEVCVVUPSQ-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide (CID 138585148) is 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)N(c2ccn(-c3ccccc3)n2)C2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is FVKXQEVCVVUPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-15-14-27-19(21-15)20(26)25(17-8-11-23(2)12-9-17)18-10-13-24(22-18)16-6-4-3-5-7-16/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide?
4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpiperidin-4-yl)-N-(1-phenylpyrazol-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 138585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).