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

C19H22ClN3O2S — CID 3776917

IUPAC[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate
SMILESCC(=NOC(=O)NC1CCCCC1)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C19H22ClN3O2S/c1-12-17(26-18(21-12)14-8-10-15(20)11-9-14)13(2)23-25-19(24)22-16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3,(H,22,24)
InChIKeyGPHBYUBETMMGPJ-UHFFFAOYSA-N
MW391.92 g/mol
LogP5.55
Rot. Bonds4

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

[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate (PubChem CID 3776917) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate
PubChem CID3776917
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate
SMILESCC(=NOC(=O)NC1CCCCC1)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C19H22ClN3O2S/c1-12-17(26-18(21-12)14-8-10-15(20)11-9-14)13(2)23-25-19(24)22-16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3,(H,22,24)
InChIKeyGPHBYUBETMMGPJ-UHFFFAOYSA-N
XLogP5.55
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.92
LogP ≤ 55.55
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-ethylcarbamate
CID 3782726
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660400
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
2-(4-chlorophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55893825
2-(4-chlorophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112804170
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119624283
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119624282

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate?
The IUPAC name of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate (CID 3776917) is [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate.
What is the SMILES notation for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate?
The canonical SMILES for [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate is CC(=NOC(=O)NC1CCCCC1)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate?
The InChIKey is GPHBYUBETMMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-12-17(26-18(21-12)14-8-10-15(20)11-9-14)13(2)23-25-19(24)22-16-6-4-3-5-7-16/h8-11,16H,3-7H2,1-2H3,(H,22,24).
What are the key properties of [1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate?
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-cyclohexylcarbamate has a molecular weight of 391.92 g/mol, XLogP of 5.55, 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-cyclohexylcarbamate is sourced from PubChem (CID 3776917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).