carbonic acid;3-methyl-2H-1,3-thiazole

C5H9NO3S — CID 161327713

IUPACcarbonic acid;3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1.O=C(O)O
InChIInChI=1S/C4H7NS.CH2O3/c1-5-2-3-6-4-5;2-1(3)4/h2-3H,4H2,1H3;(H2,2,3,4)
InChIKeyVKZLNVLARRPUSH-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.32
Rot. Bonds

About carbonic acid;3-methyl-2H-1,3-thiazole

carbonic acid;3-methyl-2H-1,3-thiazole (PubChem CID 161327713) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is carbonic acid;3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Namecarbonic acid;3-methyl-2H-1,3-thiazole
PubChem CID161327713
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Namecarbonic acid;3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1.O=C(O)O
InChIInChI=1S/C4H7NS.CH2O3/c1-5-2-3-6-4-5;2-1(3)4/h2-3H,4H2,1H3;(H2,2,3,4)
InChIKeyVKZLNVLARRPUSH-UHFFFAOYSA-N
XLogP1.32
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze carbonic acid;3-methyl-2H-1,3-thiazole 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

Thiazole-3-carboxylic acid
CID 22930385
2-Oxo-1,3-thiazole-3-carboxylic acid
CID 18671352
CID 19104363
CID 19104363
2-methyl-2H-1,3-thiazole-3-carboxylic acid
CID 22355287
2H-1,3-thiazole-3-carboxylic acid;hydrochloride
CID 66980836
2H-1,3-thiazole-3-carboxylic acid;dihydrochloride
CID 69153549
2H-1,3-thiazole-3-carboxylic acid;hydrobromide
CID 69699407
2H-1,3-thiazol-3-yl hydrogen carbonate
CID 91147058
1-carboxy-2H-1,3-thiazol-1-ium-3-carboxylate
CID 172718868
sodium;hydride;2H-1,3-thiazole-3-carboxylic acid
CID 174751276
2-methoxy-3-methyl-2H-1,3-thiazole;methyl hydrogen carbonate
CID 174755310
2H-1,3-thiazol-1-ium-1,3-dicarboxylic acid
CID 172718869

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-methyl-2H-1,3-thiazole?
The IUPAC name of carbonic acid;3-methyl-2H-1,3-thiazole (CID 161327713) is carbonic acid;3-methyl-2H-1,3-thiazole.
What is the SMILES notation for carbonic acid;3-methyl-2H-1,3-thiazole?
The canonical SMILES for carbonic acid;3-methyl-2H-1,3-thiazole is CN1C=CSC1.O=C(O)O.
What is the InChIKey of carbonic acid;3-methyl-2H-1,3-thiazole?
The InChIKey is VKZLNVLARRPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.CH2O3/c1-5-2-3-6-4-5;2-1(3)4/h2-3H,4H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;3-methyl-2H-1,3-thiazole?
carbonic acid;3-methyl-2H-1,3-thiazole has a molecular weight of 163.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 161327713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).