2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine

C7H7N3S2 — CID 117275717

IUPAC2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
SMILESCSc1nc2ncc(N)cc2s1
InChIInChI=1S/C7H7N3S2/c1-11-7-10-6-5(12-7)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKeyLBTVRRMLFSTEFQ-UHFFFAOYSA-N
MW197.29 g/mol
LogP2.00
Rot. Bonds1

About 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine

2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine (PubChem CID 117275717) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
PubChem CID117275717
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Name2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
SMILESCSc1nc2ncc(N)cc2s1
InChIInChI=1S/C7H7N3S2/c1-11-7-10-6-5(12-7)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKeyLBTVRRMLFSTEFQ-UHFFFAOYSA-N
XLogP2.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 84660344
ethyl 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 86681077
methyl 6-amino-[1,3]thiazolo[4,5-b]pyridine-2-carboxylate
CID 76850392
7-ethyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 135319692
2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 118224190
2-methylsulfanyl-1,3-thiazol-5-amine
CID 13248905
5-methyl-6-methylsulfanylpyridin-3-amine
CID 62476915
2-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 607752
5,6-dimethyl-2-methylsulfanyl-1,3-benzothiazole
CID 142245671
2-butylsulfanyl-6-chloro-[1,3]thiazolo[4,5-b]pyridine
CID 76850259
2-benzylsulfanyl-6-methyl-[1,3]thiazolo[4,5-b]pyridine
CID 76850378
5-methyl-2-methylsulfanyl-1,3-benzothiazole
CID 10655478

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine (CID 117275717) is 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine is CSc1nc2ncc(N)cc2s1.
What is the InChIKey of 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
The InChIKey is LBTVRRMLFSTEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c1-11-7-10-6-5(12-7)2-4(8)3-9-6/h2-3H,8H2,1H3.
What are the key properties of 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine?
2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine has a molecular weight of 197.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 117275717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).