(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone

C13H16ClN3OS — CID 24740004

IUPAC(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(Cl)sc2[nH]c(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C13H16ClN3OS/c1-8-9-7-10(15-12(9)19-11(8)14)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3
InChIKeyZHGXYYAWQMAXHJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.58
Rot. Bonds1

About (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone

(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 24740004) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID24740004
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(Cl)sc2[nH]c(C(=O)N3CCN(C)CC3)cc12
InChIInChI=1S/C13H16ClN3OS/c1-8-9-7-10(15-12(9)19-11(8)14)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3
InChIKeyZHGXYYAWQMAXHJ-UHFFFAOYSA-N
XLogP2.58
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
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CID 10131823
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(5,5-difluoro-1,4,6,7-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913257
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
[4-(2-chloroethyl)-5-propyl-1H-pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 163757188
(7-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913124
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid;(2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
CID 160648797
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 24740004) is (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone is Cc1c(Cl)sc2[nH]c(C(=O)N3CCN(C)CC3)cc12.
What is the InChIKey of (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZHGXYYAWQMAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-8-9-7-10(15-12(9)19-11(8)14)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3.
What are the key properties of (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 297.81 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).