[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate

C10H9N3O2S — CID 174464729

IUPAC[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
SMILESCc1nnc(-c2ccccc2OC(N)=O)s1
InChIInChI=1S/C10H9N3O2S/c1-6-12-13-9(16-6)7-4-2-3-5-8(7)15-10(11)14/h2-5H,1H3,(H2,11,14)
InChIKeyLDQCFBQBVZHJPI-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.97
Rot. Bonds2

About [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate

[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate (PubChem CID 174464729) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
PubChem CID174464729
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
SMILESCc1nnc(-c2ccccc2OC(N)=O)s1
InChIInChI=1S/C10H9N3O2S/c1-6-12-13-9(16-6)7-4-2-3-5-8(7)15-10(11)14/h2-5H,1H3,(H2,11,14)
InChIKeyLDQCFBQBVZHJPI-UHFFFAOYSA-N
XLogP1.97
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
CID 174477773
[2-[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl]methanol
CID 56702750
(2-trimethylsilylphenyl) carbamate
CID 68854003
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
[2-(dimethylamino)phenyl] carbamate
CID 163610116
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
ethyl 3-[4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]phenyl]triazole-4-carboxylate
CID 175293448
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
CID 175859022
2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347506
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The IUPAC name of [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate (CID 174464729) is [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate.
What is the SMILES notation for [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The canonical SMILES for [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate is Cc1nnc(-c2ccccc2OC(N)=O)s1.
What is the InChIKey of [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The InChIKey is LDQCFBQBVZHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-12-13-9(16-6)7-4-2-3-5-8(7)15-10(11)14/h2-5H,1H3,(H2,11,14).
What are the key properties of [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate has a molecular weight of 235.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate is sourced from PubChem (CID 174464729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).