2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid

C9H12N2O2S — CID 139573560

IUPAC2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
SMILESCc1nc2c(s1)CCN(CC(=O)O)C2
InChIInChI=1S/C9H12N2O2S/c1-6-10-7-4-11(5-9(12)13)3-2-8(7)14-6/h2-5H2,1H3,(H,12,13)
InChIKeyBABBUDQBKOBDJL-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.89
Rot. Bonds2

About 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid

2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid (PubChem CID 139573560) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
PubChem CID139573560
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
SMILESCc1nc2c(s1)CCN(CC(=O)O)C2
InChIInChI=1S/C9H12N2O2S/c1-6-10-7-4-11(5-9(12)13)3-2-8(7)14-6/h2-5H2,1H3,(H,12,13)
InChIKeyBABBUDQBKOBDJL-UHFFFAOYSA-N
XLogP0.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetamide
CID 139573239
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)prop-2-en-1-one
CID 169135165
2-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 82155255
1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 123694071
ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid
CID 142538378
(3S)-3-[4-[[3-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)methyl]phenyl]methoxy]phenyl]hex-4-ynoic acid
CID 122511122
5-(2,2-dimethylpropyl)-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 118375132
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 123501713
(2-methyl-4,6,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-5-yl)methanimine
CID 21139052
[4-[5-(2-amino-2-oxoethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methylbutan-2-yl] 2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 123755009

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid (CID 139573560) is 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid is Cc1nc2c(s1)CCN(CC(=O)O)C2.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid?
The InChIKey is BABBUDQBKOBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-6-10-7-4-11(5-9(12)13)3-2-8(7)14-6/h2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid?
2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid has a molecular weight of 212.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 139573560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).