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

C23H14N2O4S — CID 34924459

IUPACN-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1ccco1
InChIInChI=1S/C23H14N2O4S/c26-20(18-11-6-12-28-18)25-22-19(14-7-2-1-3-8-14)24-21(30-22)16-13-15-9-4-5-10-17(15)29-23(16)27/h1-13H,(H,25,26)
InChIKeyQVIWVPODONQHHQ-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.43
Rot. Bonds4

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

N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide (PubChem CID 34924459) has the molecular formula C23H14N2O4S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
PubChem CID34924459
Molecular FormulaC23H14N2O4S
Molecular Weight414.44 g/mol
Exact Mass414.07
IUPAC NameN-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1ccco1
InChIInChI=1S/C23H14N2O4S/c26-20(18-11-6-12-28-18)25-22-19(14-7-2-1-3-8-14)24-21(30-22)16-13-15-9-4-5-10-17(15)29-23(16)27/h1-13H,(H,25,26)
InChIKeyQVIWVPODONQHHQ-UHFFFAOYSA-N
XLogP5.43
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 35345756
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 25283053
3-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]chromen-2-one
CID 3139702
N-(4-oxo-6-phenyl-1,3-thiazin-2-yl)furan-2-carboxamide
CID 175842092
3-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 808318
3-phenylchromen-2-one;hydrochloride
CID 141206894
N-[2-(5-acetamido-4-phenyl-1,3-thiazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 1178648
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide (CID 34924459) is N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide is O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
The InChIKey is QVIWVPODONQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O4S/c26-20(18-11-6-12-28-18)25-22-19(14-7-2-1-3-8-14)24-21(30-22)16-13-15-9-4-5-10-17(15)29-23(16)27/h1-13H,(H,25,26).
What are the key properties of N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide?
N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 34924459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).