N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide

C12H13N3O2S — CID 121144564

IUPACN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccco1
InChIInChI=1S/C12H13N3O2S/c16-11(10-2-1-6-17-10)14-9-3-5-15(8-9)12-13-4-7-18-12/h1-2,4,6-7,9H,3,5,8H2,(H,14,16)
InChIKeyCLLQYAVSBJKWJN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.74
Rot. Bonds3

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

N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 121144564) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID121144564
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccco1
InChIInChI=1S/C12H13N3O2S/c16-11(10-2-1-6-17-10)14-9-3-5-15(8-9)12-13-4-7-18-12/h1-2,4,6-7,9H,3,5,8H2,(H,14,16)
InChIKeyCLLQYAVSBJKWJN-UHFFFAOYSA-N
XLogP1.74
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
CID 121144632
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
N-[2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]ethyl]furan-2-carboxamide
CID 111042852
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide (CID 121144564) is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide is O=C(NC1CCN(c2nccs2)C1)c1ccco1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is CLLQYAVSBJKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-11(10-2-1-6-17-10)14-9-3-5-15(8-9)12-13-4-7-18-12/h1-2,4,6-7,9H,3,5,8H2,(H,14,16).
What are the key properties of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide?
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 121144564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).