[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea

C15H20N4OS — CID 15496669

IUPAC[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea
SMILESCCCCn1c(-c2ccc(C)cc2)cs/c1=N\NC(N)=O
InChIInChI=1S/C15H20N4OS/c1-3-4-9-19-13(12-7-5-11(2)6-8-12)10-21-15(19)18-17-14(16)20/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,20)/b18-15-
InChIKeyFHLVYHJKWOREMM-SDXDJHTJSA-N
MW304.42 g/mol
LogP2.81
Rot. Bonds5

About [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea

[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea (PubChem CID 15496669) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea
PubChem CID15496669
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea
SMILESCCCCn1c(-c2ccc(C)cc2)cs/c1=N\NC(N)=O
InChIInChI=1S/C15H20N4OS/c1-3-4-9-19-13(12-7-5-11(2)6-8-12)10-21-15(19)18-17-14(16)20/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,20)/b18-15-
InChIKeyFHLVYHJKWOREMM-SDXDJHTJSA-N
XLogP2.81
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-N-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 18813168
N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 5467076
N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 10069862
N-[(E)-[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-methylbenzamide
CID 98212283
3-(3-aminopropyl)-4-(4-methylphenyl)-1,3-thiazol-2-one
CID 82027849
N-(4-methylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-pentyl-1,3-thiazol-2-imine
CID 18813162
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
N-[(Z)-[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitrobenzamide
CID 44724074
4-[(E)-N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-C-methylcarbonimidoyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 10389493
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761

Frequently Asked Questions

What is the IUPAC name of [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea?
The IUPAC name of [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea (CID 15496669) is [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea.
What is the SMILES notation for [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea?
The canonical SMILES for [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea is CCCCn1c(-c2ccc(C)cc2)cs/c1=N\NC(N)=O.
What is the InChIKey of [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea?
The InChIKey is FHLVYHJKWOREMM-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-4-9-19-13(12-7-5-11(2)6-8-12)10-21-15(19)18-17-14(16)20/h5-8,10H,3-4,9H2,1-2H3,(H3,16,17,20)/b18-15-.
What are the key properties of [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea?
[(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea has a molecular weight of 304.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[3-butyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]urea is sourced from PubChem (CID 15496669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).