(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C15H18N4OS — CID 71877261

IUPAC(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-18(2)7-8-19(11)15(20)13-10-21-14(17-13)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyROROTUBNMYCRJD-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.98
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 71877261) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID71877261
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1csc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4OS/c1-11-9-18(2)7-8-19(11)15(20)13-10-21-14(17-13)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyROROTUBNMYCRJD-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 71877261) is (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is CC1CN(C)CCN1C(=O)c1csc(-c2ccccn2)n1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is ROROTUBNMYCRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-9-18(2)7-8-19(11)15(20)13-10-21-14(17-13)12-5-3-4-6-16-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71877261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).