[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate

C15H16ClN3O2S — CID 3782726

IUPAC[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate
SMILESCCNC(=O)ON=C(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H16ClN3O2S/c1-4-17-15(20)21-19-10(3)13-9(2)18-14(22-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyYEEQAINIFYGZHS-UHFFFAOYSA-N
MW337.83 g/mol
LogP4.24
Rot. Bonds4

About [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate (PubChem CID 3782726) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate
PubChem CID3782726
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate
SMILESCCNC(=O)ON=C(C)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H16ClN3O2S/c1-4-17-15(20)21-19-10(3)13-9(2)18-14(22-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,20)
InChIKeyYEEQAINIFYGZHS-UHFFFAOYSA-N
XLogP4.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate
CID 3776917
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 33097544
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119362912
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24512904
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 119583997
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936
methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
CID 135673312
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 30388145

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate?
The IUPAC name of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate (CID 3782726) is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate.
What is the SMILES notation for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate?
The canonical SMILES for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate is CCNC(=O)ON=C(C)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate?
The InChIKey is YEEQAINIFYGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-4-17-15(20)21-19-10(3)13-9(2)18-14(22-13)11-5-7-12(16)8-6-11/h5-8H,4H2,1-3H3,(H,17,20).
What are the key properties of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate?
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate has a molecular weight of 337.83 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate is sourced from PubChem (CID 3782726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).