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

C20H14N2O2S — CID 4061506

IUPACN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19(18-7-4-12-24-18)22-20-21-17(13-25-20)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H,21,22,23)
InChIKeyMBXNNEHZUFZSNH-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.32
Rot. Bonds4

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

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 4061506) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID4061506
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC NameN-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccco1
InChIInChI=1S/C20H14N2O2S/c23-19(18-7-4-12-24-18)22-20-21-17(13-25-20)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H,21,22,23)
InChIKeyMBXNNEHZUFZSNH-UHFFFAOYSA-N
XLogP5.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 41097129
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512059
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
N-[3-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55822951
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 4061506) is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccco1.
What is the InChIKey of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is MBXNNEHZUFZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-19(18-7-4-12-24-18)22-20-21-17(13-25-20)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-13H,(H,21,22,23).
What are the key properties of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4061506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).