2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid

C8H10N2O2S — CID 82398325

IUPAC2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nc2c(s1)CCNC2C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-4-10-6-5(13-4)2-3-9-7(6)8(11)12/h7,9H,2-3H2,1H3,(H,11,12)
InChIKeyWAFHPCICCJOPAS-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.72
Rot. Bonds1

About 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid

2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 82398325) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid
PubChem CID82398325
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid
SMILESCc1nc2c(s1)CCNC2C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-4-10-6-5(13-4)2-3-9-7(6)8(11)12/h7,9H,2-3H2,1H3,(H,11,12)
InChIKeyWAFHPCICCJOPAS-UHFFFAOYSA-N
XLogP0.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 96621503
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid
CID 82407973
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
(2S)-3-hydroxyboranylidenepyrrolidine-2-carboxylic acid
CID 67252890
2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 70710840
2-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 70710046
(4S)-2-methyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 163647146
8-fluoro-5-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 69439737
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
CID 53408438
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-imidazole-5-carboxamide
CID 91838021
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
CID 17389654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid (CID 82398325) is 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid is Cc1nc2c(s1)CCNC2C(=O)O.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is WAFHPCICCJOPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4-10-6-5(13-4)2-3-9-7(6)8(11)12/h7,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid?
2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 82398325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).