[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate

C18H24N2O4S — CID 175452374

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)Oc1cnc(-c2cc(OC)ccc2OC)s1)C(C)(C)C
InChIInChI=1S/C18H24N2O4S/c1-7-20(18(2,3)4)17(21)24-15-11-19-16(25-15)13-10-12(22-5)8-9-14(13)23-6/h8-11H,7H2,1-6H3
InChIKeyFCZGWPAHGRGXFX-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.45
Rot. Bonds5

About [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate

[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate (PubChem CID 175452374) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate
PubChem CID175452374
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate
SMILESCCN(C(=O)Oc1cnc(-c2cc(OC)ccc2OC)s1)C(C)(C)C
InChIInChI=1S/C18H24N2O4S/c1-7-20(18(2,3)4)17(21)24-15-11-19-16(25-15)13-10-12(22-5)8-9-14(13)23-6/h8-11H,7H2,1-6H3
InChIKeyFCZGWPAHGRGXFX-UHFFFAOYSA-N
XLogP4.45
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
CID 63383412
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
2-(diethylamino)-1-(2,5-dimethoxyphenyl)-2-methylpropan-1-one
CID 79053848
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
[5-[2-(3-chlorophenyl)ethynyl]-2-pyridinyl] N-tert-butyl-N-ethylcarbamate
CID 122583315
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate (CID 175452374) is [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate is CCN(C(=O)Oc1cnc(-c2cc(OC)ccc2OC)s1)C(C)(C)C.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate?
The InChIKey is FCZGWPAHGRGXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-7-20(18(2,3)4)17(21)24-15-11-19-16(25-15)13-10-12(22-5)8-9-14(13)23-6/h8-11H,7H2,1-6H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate?
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate has a molecular weight of 364.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl] N-tert-butyl-N-ethylcarbamate is sourced from PubChem (CID 175452374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).