1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

C17H14N4O2S — CID 135723550

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(N/N=C/c1ccccc1O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N4O2S/c22-15-9-5-4-8-13(15)10-18-21-16(23)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23)/b18-10+
InChIKeyPFLCMEXNOAGZPS-VCHYOVAHSA-N
MW338.39 g/mol
LogP3.67
Rot. Bonds4

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 135723550) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID135723550
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESO=C(N/N=C/c1ccccc1O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14N4O2S/c22-15-9-5-4-8-13(15)10-18-21-16(23)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23)/b18-10+
InChIKeyPFLCMEXNOAGZPS-VCHYOVAHSA-N
XLogP3.67
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chlorozinc(1+);4-methyl-2-[(E)-[(4-phenyl-1,3-thiazol-2-yl)carbamoylhydrazinylidene]methyl]phenolate
CID 24895749
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465
4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
copper;bis(1-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea)
CID 135409898
2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865723
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea (CID 135723550) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is O=C(N/N=C/c1ccccc1O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is PFLCMEXNOAGZPS-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N4O2S/c22-15-9-5-4-8-13(15)10-18-21-16(23)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-11,22H,(H2,19,20,21,23)/b18-10+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 338.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 135723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).