5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide

C17H16N4O2S2 — CID 47051846

IUPAC5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H16N4O2S2/c22-15(20-17-19-13(10-25-17)14-4-3-7-24-14)11-8-12(18-9-11)16(23)21-5-1-2-6-21/h3-4,7-10,18H,1-2,5-6H2,(H,19,20,22)
InChIKeyUPPJKVWDSBEKMC-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.69
Rot. Bonds4

About 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide

5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 47051846) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID47051846
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H16N4O2S2/c22-15(20-17-19-13(10-25-17)14-4-3-7-24-14)11-8-12(18-9-11)16(23)21-5-1-2-6-21/h3-4,7-10,18H,1-2,5-6H2,(H,19,20,22)
InChIKeyUPPJKVWDSBEKMC-UHFFFAOYSA-N
XLogP3.69
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide (CID 47051846) is 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide is O=C(Nc1nc(-c2cccs2)cs1)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is UPPJKVWDSBEKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c22-15(20-17-19-13(10-25-17)14-4-3-7-24-14)11-8-12(18-9-11)16(23)21-5-1-2-6-21/h3-4,7-10,18H,1-2,5-6H2,(H,19,20,22).
What are the key properties of 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide?
5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 372.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47051846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).