methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid

C6H8N2O2S — CID 67982872

IUPACmethyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1csc(N(C)C(=O)O)n1
InChIInChI=1S/C6H8N2O2S/c1-4-3-11-5(7-4)8(2)6(9)10/h3H,1-2H3,(H,9,10)
InChIKeyHSZRDVMNHWCMTA-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.57
Rot. Bonds1

About methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid

methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid (PubChem CID 67982872) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid
PubChem CID67982872
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namemethyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid
SMILESCc1csc(N(C)C(=O)O)n1
InChIInChI=1S/C6H8N2O2S/c1-4-3-11-5(7-4)8(2)6(9)10/h3H,1-2H3,(H,9,10)
InChIKeyHSZRDVMNHWCMTA-UHFFFAOYSA-N
XLogP1.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl-(4-methyl-1,3-thiazol-2-yl)carbamic 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 methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid?
The IUPAC name of methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid (CID 67982872) is methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid.
What is the SMILES notation for methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid?
The canonical SMILES for methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid is Cc1csc(N(C)C(=O)O)n1.
What is the InChIKey of methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid?
The InChIKey is HSZRDVMNHWCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4-3-11-5(7-4)8(2)6(9)10/h3H,1-2H3,(H,9,10).
What are the key properties of methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid?
methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid has a molecular weight of 172.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-methyl-1,3-thiazol-2-yl)carbamic acid is sourced from PubChem (CID 67982872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).