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

C13H14N2O2S — CID 135263601

IUPAC1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
SMILESCc1ncsc1-c1ccc(C(C)NC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17)
InChIKeyLPAQVVKVRHMPAA-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.45
Rot. Bonds3

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

1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid (PubChem CID 135263601) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
PubChem CID135263601
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
SMILESCc1ncsc1-c1ccc(C(C)NC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17)
InChIKeyLPAQVVKVRHMPAA-UHFFFAOYSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid (CID 135263601) is 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid is Cc1ncsc1-c1ccc(C(C)NC(=O)O)cc1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
The InChIKey is LPAQVVKVRHMPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid?
1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid has a molecular weight of 262.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 135263601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).