(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C14H16N4OS — CID 120729984

IUPAC(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H16N4OS/c1-10-17-9-13(20-10)14(19)18-6-5-16-8-12(18)11-3-2-4-15-7-11/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyPAQWIANUJSUFRZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.63
Rot. Bonds2

About (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729984) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729984
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1ncc(C(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C14H16N4OS/c1-10-17-9-13(20-10)14(19)18-6-5-16-8-12(18)11-3-2-4-15-7-11/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyPAQWIANUJSUFRZ-UHFFFAOYSA-N
XLogP1.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728859
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730375
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731331
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729984) is (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1ncc(C(=O)N2CCNCC2c2cccnc2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is PAQWIANUJSUFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-17-9-13(20-10)14(19)18-6-5-16-8-12(18)11-3-2-4-15-7-11/h2-4,7,9,12,16H,5-6,8H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 288.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).