N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide

C18H17N3O2S — CID 810332

IUPACN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2csc(N3CCCC3)n2)cc1)c1ccco1
InChIInChI=1S/C18H17N3O2S/c22-17(16-4-3-11-23-16)19-14-7-5-13(6-8-14)15-12-24-18(20-15)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22)
InChIKeyXQUMRBHBGWWDLE-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.26
Rot. Bonds4

About N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide

N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 810332) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID810332
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2csc(N3CCCC3)n2)cc1)c1ccco1
InChIInChI=1S/C18H17N3O2S/c22-17(16-4-3-11-23-16)19-14-7-5-13(6-8-14)15-12-24-18(20-15)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22)
InChIKeyXQUMRBHBGWWDLE-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
CID 3976277
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (CID 810332) is N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2csc(N3CCCC3)n2)cc1)c1ccco1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is XQUMRBHBGWWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-17(16-4-3-11-23-16)19-14-7-5-13(6-8-14)15-12-24-18(20-15)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,22).
What are the key properties of N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 810332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).