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

C19H13N3O3S — CID 91937679

IUPAC1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H13N3O3S/c23-17-14(10-12-6-4-5-9-16(12)25-17)15-11-26-19(21-15)22-18(24)20-13-7-2-1-3-8-13/h1-11H,(H2,20,21,22,24)
InChIKeyHFFWXAVPENWAPE-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.56
Rot. Bonds3

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

1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea (PubChem CID 91937679) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea
PubChem CID91937679
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H13N3O3S/c23-17-14(10-12-6-4-5-9-16(12)25-17)15-11-26-19(21-15)22-18(24)20-13-7-2-1-3-8-13/h1-11H,(H2,20,21,22,24)
InChIKeyHFFWXAVPENWAPE-UHFFFAOYSA-N
XLogP4.56
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.56
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

3-{2-[N'-(1-Phenyl-ethylidene)-hydrazino]-thiazol-4-yl}-chromen-2-one
CID 9566706
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-(3-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 929876
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-Nitrophenyl)methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899438
3-[2-[[4-(Dimethylamino)phenyl]methyldiazenyl]-1,3-thiazol-4-yl]chromen-2-one
CID 91899439

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea?
The IUPAC name of 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea (CID 91937679) is 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea?
The InChIKey is HFFWXAVPENWAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-17-14(10-12-6-4-5-9-16(12)25-17)15-11-26-19(21-15)22-18(24)20-13-7-2-1-3-8-13/h1-11H,(H2,20,21,22,24).
What are the key properties of 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea?
1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea has a molecular weight of 363.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylurea is sourced from PubChem (CID 91937679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).