[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate

C13H14N2O3S — CID 175068424

IUPAC[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate
SMILESCOc1cc(C)ccc1-c1nc(C)c(OC(N)=O)s1
InChIInChI=1S/C13H14N2O3S/c1-7-4-5-9(10(6-7)17-3)11-15-8(2)12(19-11)18-13(14)16/h4-6H,1-3H3,(H2,14,16)
InChIKeyYHPKCQDMRVKEPV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.89
Rot. Bonds3

About [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate

[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate (PubChem CID 175068424) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate
PubChem CID175068424
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate
SMILESCOc1cc(C)ccc1-c1nc(C)c(OC(N)=O)s1
InChIInChI=1S/C13H14N2O3S/c1-7-4-5-9(10(6-7)17-3)11-15-8(2)12(19-11)18-13(14)16/h4-6H,1-3H3,(H2,14,16)
InChIKeyYHPKCQDMRVKEPV-UHFFFAOYSA-N
XLogP2.89
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
N-ethyl-1-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106792889
2-(2-methoxy-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 106789844
2-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82091190
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
[2-[3-cyano-4-(4-methylphenyl)phenyl]-4-methyl-1,3-thiazol-5-yl] hydrogen carbonate
CID 68620232

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate?
The IUPAC name of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate (CID 175068424) is [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate.
What is the SMILES notation for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate?
The canonical SMILES for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate is COc1cc(C)ccc1-c1nc(C)c(OC(N)=O)s1.
What is the InChIKey of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate?
The InChIKey is YHPKCQDMRVKEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-4-5-9(10(6-7)17-3)11-15-8(2)12(19-11)18-13(14)16/h4-6H,1-3H3,(H2,14,16).
What are the key properties of [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate?
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate has a molecular weight of 278.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl] carbamate is sourced from PubChem (CID 175068424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).