[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

C19H21N5OS — CID 120729868

IUPAC[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccnc2)c(C)n1-c1nccs1
InChIInChI=1S/C19H21N5OS/c1-13-10-16(14(2)24(13)19-22-7-9-26-19)18(25)23-8-6-21-12-17(23)15-4-3-5-20-11-15/h3-5,7,9-11,17,21H,6,8,12H2,1-2H3
InChIKeyQYIBNMXEBXCJIE-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.73
Rot. Bonds3

About [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone

[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729868) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729868
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccnc2)c(C)n1-c1nccs1
InChIInChI=1S/C19H21N5OS/c1-13-10-16(14(2)24(13)19-22-7-9-26-19)18(25)23-8-6-21-12-17(23)15-4-3-5-20-11-15/h3-5,7,9-11,17,21H,6,8,12H2,1-2H3
InChIKeyQYIBNMXEBXCJIE-UHFFFAOYSA-N
XLogP2.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731575
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729868) is [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCNCC2c2cccnc2)c(C)n1-c1nccs1.
What is the InChIKey of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is QYIBNMXEBXCJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-10-16(14(2)24(13)19-22-7-9-26-19)18(25)23-8-6-21-12-17(23)15-4-3-5-20-11-15/h3-5,7,9-11,17,21H,6,8,12H2,1-2H3.
What are the key properties of [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone?
[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 367.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).