(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C19H23N5OS — CID 25284732

IUPAC(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1cccc2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12
InChIInChI=1S/C19H23N5OS/c1-13(2)14-5-4-6-16-17(14)20-19(26-16)24-11-9-23(10-12-24)18(25)15-7-8-22(3)21-15/h4-8,13H,9-12H2,1-3H3
InChIKeyXOGIGNCIBLALNV-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.12
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 25284732) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID25284732
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1cccc2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12
InChIInChI=1S/C19H23N5OS/c1-13(2)14-5-4-6-16-17(14)20-19(26-16)24-11-9-23(10-12-24)18(25)15-7-8-22(3)21-15/h4-8,13H,9-12H2,1-3H3
InChIKeyXOGIGNCIBLALNV-UHFFFAOYSA-N
XLogP3.12
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 25284732) is (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is CC(C)c1cccc2sc(N3CCN(C(=O)c4ccn(C)n4)CC3)nc12.
What is the InChIKey of (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XOGIGNCIBLALNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(2)14-5-4-6-16-17(14)20-19(26-16)24-11-9-23(10-12-24)18(25)15-7-8-22(3)21-15/h4-8,13H,9-12H2,1-3H3.
What are the key properties of (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).