[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C19H21N5OS — CID 30848794

IUPAC[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)s1
InChIInChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyXLKHZSCZDIPGBV-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.11
Rot. Bonds3

About [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 30848794) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID30848794
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)s1
InChIInChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22)
InChIKeyXLKHZSCZDIPGBV-UHFFFAOYSA-N
XLogP3.11
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 30848794) is [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1nc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)n[nH]2)s1.
What is the InChIKey of [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XLKHZSCZDIPGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-18(26-14(2)20-13)16-12-17(22-21-16)19(25)24-10-8-23(9-11-24)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22).
What are the key properties of [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 30848794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).