[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C20H23N5OS — CID 23611491

IUPAC[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)s2)n1
InChIInChI=1S/C20H23N5OS/c1-14-13-15(2)25(22-14)20-21-16(3)18(27-20)19(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13H,9-12H2,1-3H3
InChIKeyIMFIWCDJGXAZFH-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.22
Rot. Bonds3

About [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 23611491) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID23611491
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)s2)n1
InChIInChI=1S/C20H23N5OS/c1-14-13-15(2)25(22-14)20-21-16(3)18(27-20)19(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13H,9-12H2,1-3H3
InChIKeyIMFIWCDJGXAZFH-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 23611491) is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(c4ccccc4)CC3)s2)n1.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is IMFIWCDJGXAZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-13-15(2)25(22-14)20-21-16(3)18(27-20)19(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13H,9-12H2,1-3H3.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 381.51 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 23611491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).