[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C18H21N5OS — CID 152623863

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1csc(N2CCN(C(=O)N3N=CCC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5OS/c1-14-13-25-17(20-14)21-9-11-22(12-10-21)18(24)23-16(7-8-19-23)15-5-3-2-4-6-15/h2-6,8,13,16H,7,9-12H2,1H3
InChIKeyZCBXYBQKFCIWOJ-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.13
Rot. Bonds2

About [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 152623863) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID152623863
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESCc1csc(N2CCN(C(=O)N3N=CCC3c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5OS/c1-14-13-25-17(20-14)21-9-11-22(12-10-21)18(24)23-16(7-8-19-23)15-5-3-2-4-6-15/h2-6,8,13,16H,7,9-12H2,1H3
InChIKeyZCBXYBQKFCIWOJ-UHFFFAOYSA-N
XLogP3.13
TPSA52.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 152623863) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is Cc1csc(N2CCN(C(=O)N3N=CCC3c3ccccc3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is ZCBXYBQKFCIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-14-13-25-17(20-14)21-9-11-22(12-10-21)18(24)23-16(7-8-19-23)15-5-3-2-4-6-15/h2-6,8,13,16H,7,9-12H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 355.47 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 152623863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).