(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone

C15H19N5OS — CID 53141252

IUPAC(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2snc(-c3ccccn3)c2N)CC1
InChIInChI=1S/C15H19N5OS/c1-2-19-7-9-20(10-8-19)15(21)14-12(16)13(18-22-14)11-5-3-4-6-17-11/h3-6H,2,7-10,16H2,1H3
InChIKeyILIGDJOBNJFQHF-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.57
Rot. Bonds3

About (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone

(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 53141252) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID53141252
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2snc(-c3ccccn3)c2N)CC1
InChIInChI=1S/C15H19N5OS/c1-2-19-7-9-20(10-8-19)15(21)14-12(16)13(18-22-14)11-5-3-4-6-17-11/h3-6H,2,7-10,16H2,1H3
InChIKeyILIGDJOBNJFQHF-UHFFFAOYSA-N
XLogP1.57
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 53141249
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
CID 53141318
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
(4-ethylpiperazin-1-yl)-pyrido[2,3-b]pyrazin-8-ylmethanone
CID 139018091
(3-amino-6-bromo-1-benzothiophen-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 114907715
6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167635
N-tert-butyl-2-(4-ethylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084555
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone (CID 53141252) is (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2snc(-c3ccccn3)c2N)CC1.
What is the InChIKey of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ILIGDJOBNJFQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-19-7-9-20(10-8-19)15(21)14-12(16)13(18-22-14)11-5-3-4-6-17-11/h3-6H,2,7-10,16H2,1H3.
What are the key properties of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone?
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 317.42 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 53141252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).