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

C17H23N3OS — CID 53191539

IUPAC(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C17H23N3OS/c1-12(2)18-5-7-19(8-6-18)17(21)15-9-13-10-20(14-3-4-14)11-16(13)22-15/h9-12,14H,3-8H2,1-2H3
InChIKeyNMYJDJJFCQCPBL-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.20
Rot. Bonds3

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

(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 53191539) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID53191539
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1
InChIInChI=1S/C17H23N3OS/c1-12(2)18-5-7-19(8-6-18)17(21)15-9-13-10-20(14-3-4-14)11-16(13)22-15/h9-12,14H,3-8H2,1-2H3
InChIKeyNMYJDJJFCQCPBL-UHFFFAOYSA-N
XLogP3.20
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 53191539) is (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc3cn(C4CC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is NMYJDJJFCQCPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)18-5-7-19(8-6-18)17(21)15-9-13-10-20(14-3-4-14)11-16(13)22-15/h9-12,14H,3-8H2,1-2H3.
What are the key properties of (5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 317.46 g/mol, XLogP of 3.20, 3 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-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53191539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).