2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide

C15H14N2OS2 — CID 117089933

IUPAC2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2csc3ccccc23)s1
InChIInChI=1S/C15H14N2OS2/c1-2-7-16-14(18)13-8-17-15(20-13)11-9-19-12-6-4-3-5-10(11)12/h3-6,8-9H,2,7H2,1H3,(H,16,18)
InChIKeyIWRZPQTTZNKUEW-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.16
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide

2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117089933) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117089933
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(-c2csc3ccccc23)s1
InChIInChI=1S/C15H14N2OS2/c1-2-7-16-14(18)13-8-17-15(20-13)11-9-19-12-6-4-3-5-10(11)12/h3-6,8-9H,2,7H2,1H3,(H,16,18)
InChIKeyIWRZPQTTZNKUEW-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide (CID 117089933) is 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(-c2csc3ccccc23)s1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is IWRZPQTTZNKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-2-7-16-14(18)13-8-17-15(20-13)11-9-19-12-6-4-3-5-10(11)12/h3-6,8-9H,2,7H2,1H3,(H,16,18).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide?
2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).