(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H19N3OS — CID 53191471

IUPAC(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-16-4-6-17(7-5-16)15(19)13-8-11-9-18(12-2-3-12)10-14(11)20-13/h8-10,12H,2-7H2,1H3
InChIKeyFBBAGGTUFQIEGD-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.43
Rot. Bonds2

About (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 53191471) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID53191471
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C15H19N3OS/c1-16-4-6-17(7-5-16)15(19)13-8-11-9-18(12-2-3-12)10-14(11)20-13/h8-10,12H,2-7H2,1H3
InChIKeyFBBAGGTUFQIEGD-UHFFFAOYSA-N
XLogP2.43
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53191630
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 87054484
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 87054456
5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191479
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191498
(4-methylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 17250068
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
[(5R)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 27233203
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 864178

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 53191471) is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FBBAGGTUFQIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-16-4-6-17(7-5-16)15(19)13-8-11-9-18(12-2-3-12)10-14(11)20-13/h8-10,12H,2-7H2,1H3.
What are the key properties of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 289.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53191471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).