5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C17H17N3O2S2 — CID 31105543

IUPAC5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc([C@H]2CCCN2Cc2ccco2)s1
InChIInChI=1S/C17H17N3O2S2/c21-16(19-17-18-7-10-23-17)15-6-5-14(24-15)13-4-1-8-20(13)11-12-3-2-9-22-12/h2-3,5-7,9-10,13H,1,4,8,11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyKPPPDJVXWFCVGD-CYBMUJFWSA-N
MW359.48 g/mol
LogP4.39
Rot. Bonds5

About 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 31105543) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID31105543
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc([C@H]2CCCN2Cc2ccco2)s1
InChIInChI=1S/C17H17N3O2S2/c21-16(19-17-18-7-10-23-17)15-6-5-14(24-15)13-4-1-8-20(13)11-12-3-2-9-22-12/h2-3,5-7,9-10,13H,1,4,8,11H2,(H,18,19,21)/t13-/m1/s1
InChIKeyKPPPDJVXWFCVGD-CYBMUJFWSA-N
XLogP4.39
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 31105543) is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nccs1)c1ccc([C@H]2CCCN2Cc2ccco2)s1.
What is the InChIKey of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KPPPDJVXWFCVGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-16(19-17-18-7-10-23-17)15-6-5-14(24-15)13-4-1-8-20(13)11-12-3-2-9-22-12/h2-3,5-7,9-10,13H,1,4,8,11H2,(H,18,19,21)/t13-/m1/s1.
What are the key properties of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31105543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).