(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

C14H17N5OS — CID 119473571

IUPAC(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H17N5OS/c1-9-8-15-6-7-19(9)14(20)11-10(2)18-13(21-11)12-16-4-3-5-17-12/h3-5,9,15H,6-8H2,1-2H3
InChIKeyKJHTTXRIDWJCSF-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.34
Rot. Bonds2

About (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 119473571) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID119473571
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H17N5OS/c1-9-8-15-6-7-19(9)14(20)11-10(2)18-13(21-11)12-16-4-3-5-17-12/h3-5,9,15H,6-8H2,1-2H3
InChIKeyKJHTTXRIDWJCSF-UHFFFAOYSA-N
XLogP1.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470707
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120740905
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 94637457
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120739504
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
[2-(4-ethylphenyl)piperazin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 120741303
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 119473571) is (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ncccn2)sc1C(=O)N1CCNCC1C.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is KJHTTXRIDWJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-8-15-6-7-19(9)14(20)11-10(2)18-13(21-11)12-16-4-3-5-17-12/h3-5,9,15H,6-8H2,1-2H3.
What are the key properties of (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 119473571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).