methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate

C14H15N3O3S — CID 135673312

IUPACmethyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(\C)c1sc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-8-12(9(2)16-17-14(19)20-3)21-13(15-8)10-4-6-11(18)7-5-10/h4-7,18H,1-3H3,(H,17,19)/b16-9+
InChIKeyWUJRCVANPOUZTK-CXUHLZMHSA-N
MW305.36 g/mol
LogP2.90
Rot. Bonds3

About methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate

methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate (PubChem CID 135673312) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
PubChem CID135673312
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(\C)c1sc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C14H15N3O3S/c1-8-12(9(2)16-17-14(19)20-3)21-13(15-8)10-4-6-11(18)7-5-10/h4-7,18H,1-3H3,(H,17,19)/b16-9+
InChIKeyWUJRCVANPOUZTK-CXUHLZMHSA-N
XLogP2.90
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]acetamide
CID 135846526
1-tert-butyl-3-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]thiourea
CID 135846497
3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
CID 135846424
N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-nitrobenzamide
CID 135673252
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 14612310
1-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 135846398
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino] N-ethylcarbamate
CID 3782726
(E)-3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one
CID 135812145
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate (CID 135673312) is methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate is COC(=O)N/N=C(\C)c1sc(-c2ccc(O)cc2)nc1C.
What is the InChIKey of methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate?
The InChIKey is WUJRCVANPOUZTK-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-12(9(2)16-17-14(19)20-3)21-13(15-8)10-4-6-11(18)7-5-10/h4-7,18H,1-3H3,(H,17,19)/b16-9+.
What are the key properties of methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate?
methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate has a molecular weight of 305.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate is sourced from PubChem (CID 135673312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).