1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea

C20H20N4O2S — CID 4146074

IUPAC1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea
SMILESC=CCn1c(-c2ccc(OC)cc2)csc1=NNC(=O)Nc1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,21,22,25)
InChIKeyJAADJIYHZHDCSG-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.05
Rot. Bonds6

About 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea

1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea (PubChem CID 4146074) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea
PubChem CID4146074
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea
SMILESC=CCn1c(-c2ccc(OC)cc2)csc1=NNC(=O)Nc1ccccc1
InChIInChI=1S/C20H20N4O2S/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,21,22,25)
InChIKeyJAADJIYHZHDCSG-UHFFFAOYSA-N
XLogP4.05
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]urea
CID 5190245
N-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]adamantane-1-carboxamide;hydrobromide
CID 75066072
4-bromo-N-[(E)-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide;hydrobromide
CID 66557607
N-[(E)-[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-methylbenzamide
CID 98212283
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
4-bromo-N-[(Z)-[4-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzamide bromide
CID 21203055
N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitrobenzamide
CID 44724074
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
CID 1498013
(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 69206071
(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6041804
1-(benzylideneamino)-3-(4-methoxyphenyl)urea
CID 154302769

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea?
The IUPAC name of 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea (CID 4146074) is 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea.
What is the SMILES notation for 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea?
The canonical SMILES for 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea is C=CCn1c(-c2ccc(OC)cc2)csc1=NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea?
The InChIKey is JAADJIYHZHDCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,21,22,25).
What are the key properties of 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea?
1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea has a molecular weight of 380.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-3-phenylurea is sourced from PubChem (CID 4146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).