N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide

C21H14N2O4S — CID 9319045

IUPACN-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1)c1ccco1
InChIInChI=1S/C21H14N2O4S/c24-20(18-2-1-9-25-18)22-15-6-3-13(4-7-15)21-23-16(11-28-21)14-5-8-17-19(10-14)27-12-26-17/h1-11H,12H2,(H,22,24)
InChIKeyVRWUYHKUTIEOJP-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.05
Rot. Bonds4

About N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide

N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (PubChem CID 9319045) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
PubChem CID9319045
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC NameN-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1)c1ccco1
InChIInChI=1S/C21H14N2O4S/c24-20(18-2-1-9-25-18)22-15-6-3-13(4-7-15)21-23-16(11-28-21)14-5-8-17-19(10-14)27-12-26-17/h1-11H,12H2,(H,22,24)
InChIKeyVRWUYHKUTIEOJP-UHFFFAOYSA-N
XLogP5.05
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 686182
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512469
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9422983
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 810332
N-[4-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 32617949
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 8504539

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide (CID 9319045) is N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1)c1ccco1.
What is the InChIKey of N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is VRWUYHKUTIEOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4S/c24-20(18-2-1-9-25-18)22-15-6-3-13(4-7-15)21-23-16(11-28-21)14-5-8-17-19(10-14)27-12-26-17/h1-11H,12H2,(H,22,24).
What are the key properties of N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide?
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9319045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).