(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate

C5H4ClNO3S — CID 67739189

IUPAC(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
SMILESCc1nc(Cl)c(OC(=O)O)s1
InChIInChI=1S/C5H4ClNO3S/c1-2-7-3(6)4(11-2)10-5(8)9/h1H3,(H,8,9)
InChIKeyULBMUEPISACHEN-UHFFFAOYSA-N
MW193.61 g/mol
LogP2.16
Rot. Bonds1

About (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate

(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate (PubChem CID 67739189) has the molecular formula C5H4ClNO3S and a molecular weight of 193.61 g/mol. Its IUPAC name is (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
PubChem CID67739189
Molecular FormulaC5H4ClNO3S
Molecular Weight193.61 g/mol
Exact Mass192.96
IUPAC Name(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate
SMILESCc1nc(Cl)c(OC(=O)O)s1
InChIInChI=1S/C5H4ClNO3S/c1-2-7-3(6)4(11-2)10-5(8)9/h1H3,(H,8,9)
InChIKeyULBMUEPISACHEN-UHFFFAOYSA-N
XLogP2.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate 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 (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The IUPAC name of (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate (CID 67739189) is (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate.
What is the SMILES notation for (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The canonical SMILES for (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate is Cc1nc(Cl)c(OC(=O)O)s1.
What is the InChIKey of (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
The InChIKey is ULBMUEPISACHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3S/c1-2-7-3(6)4(11-2)10-5(8)9/h1H3,(H,8,9).
What are the key properties of (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate?
(4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate has a molecular weight of 193.61 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methyl-1,3-thiazol-5-yl) hydrogen carbonate is sourced from PubChem (CID 67739189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).