ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid

C13H14N2O2S — CID 126602141

IUPACethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
SMILESCCN(C(=O)O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-3-15(13(16)17)11-6-4-10(5-7-11)12-9(2)14-8-18-12/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyYZPCEOCWPZGALN-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.62
Rot. Bonds3

About ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid

ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid (PubChem CID 126602141) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Nameethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
PubChem CID126602141
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Nameethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
SMILESCCN(C(=O)O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C13H14N2O2S/c1-3-15(13(16)17)11-6-4-10(5-7-11)12-9(2)14-8-18-12/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyYZPCEOCWPZGALN-UHFFFAOYSA-N
XLogP3.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
N-(benzhydrylideneamino)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)aniline
CID 177199460
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174157567
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
2-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)acetic acid
CID 60831444
N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110111082
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
3-(4-methyl-N-(4-methyl-1,3-thiazole-5-carbonyl)anilino)propanoic acid
CID 60844375
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid?
The IUPAC name of ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid (CID 126602141) is ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid.
What is the SMILES notation for ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid?
The canonical SMILES for ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid is CCN(C(=O)O)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid?
The InChIKey is YZPCEOCWPZGALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-15(13(16)17)11-6-4-10(5-7-11)12-9(2)14-8-18-12/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid?
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid has a molecular weight of 262.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 126602141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).