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

C15H19N3OS2 — CID 38470283

IUPAC[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3sccc3C)CC2)cs1
InChIInChI=1S/C15H19N3OS2/c1-11-3-8-20-14(11)15(19)18-6-4-17(5-7-18)9-13-10-21-12(2)16-13/h3,8,10H,4-7,9H2,1-2H3
InChIKeyUFTALRIECAQMIZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.78
Rot. Bonds3

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

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 38470283) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID38470283
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3sccc3C)CC2)cs1
InChIInChI=1S/C15H19N3OS2/c1-11-3-8-20-14(11)15(19)18-6-4-17(5-7-18)9-13-10-21-12(2)16-13/h3,8,10H,4-7,9H2,1-2H3
InChIKeyUFTALRIECAQMIZ-UHFFFAOYSA-N
XLogP2.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 38470283) is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1nc(CN2CCN(C(=O)c3sccc3C)CC2)cs1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is UFTALRIECAQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-11-3-8-20-14(11)15(19)18-6-4-17(5-7-18)9-13-10-21-12(2)16-13/h3,8,10H,4-7,9H2,1-2H3.
What are the key properties of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 321.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 38470283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).