1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea

C19H12FN3O3S — CID 91937681

IUPAC1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccccc1F
InChIInChI=1S/C19H12FN3O3S/c20-13-6-2-3-7-14(13)21-18(25)23-19-22-15(10-27-19)12-9-11-5-1-4-8-16(11)26-17(12)24/h1-10H,(H2,21,22,23,25)
InChIKeyKGKPJSMQDAVEMG-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.70
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea

1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea (PubChem CID 91937681) has the molecular formula C19H12FN3O3S and a molecular weight of 381.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
PubChem CID91937681
Molecular FormulaC19H12FN3O3S
Molecular Weight381.39 g/mol
Exact Mass381.06
IUPAC Name1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccccc1F
InChIInChI=1S/C19H12FN3O3S/c20-13-6-2-3-7-14(13)21-18(25)23-19-22-15(10-27-19)12-9-11-5-1-4-8-16(11)26-17(12)24/h1-10H,(H2,21,22,23,25)
InChIKeyKGKPJSMQDAVEMG-UHFFFAOYSA-N
XLogP4.70
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(8-Methoxy-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-(4-chlorophenyl)thiourea (f8)
CID 91937715
3-{5-ethyl-2-[(4-ethylphenyl)amino]-1,3-thiazol-4-yl}-8-methoxy-2H-chromen-2-one
CID 4523558
3-[2-(4-Hydroxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 695916
3-[2-(4-Hydroxy-phenylamino)-thiazol-4-yl]-6-methoxy-chromen-2-one
CID 1159993
4-[[4-(2-Oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 1581900
1-(4-Fluorophenyl)-3-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)urea (e31)
CID 91937704
3-[2-[(3-Methoxyphenyl)methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899431
3-[2-[(4-Methoxyphenyl)methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899432
3-[2-[[4-(Dimethylamino)phenyl]methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899439
3-[2-[(2-Phenylmethoxyphenyl)methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899442
3-[4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1075903
3-[2-(4-Aminoanilino)-4-thiazolyl]-1-benzopyran-2-one
CID 1075906

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea (CID 91937681) is 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea?
The InChIKey is KGKPJSMQDAVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3S/c20-13-6-2-3-7-14(13)21-18(25)23-19-22-15(10-27-19)12-9-11-5-1-4-8-16(11)26-17(12)24/h1-10H,(H2,21,22,23,25).
What are the key properties of 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea?
1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea has a molecular weight of 381.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 91937681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).