5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C9H15N3O2S2 — CID 71777898

IUPAC5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C9H15N3O2S2/c1-6(2)16(13,14)12-4-3-7-8(5-12)15-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeySMCJIUJLJSMYBB-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.82
Rot. Bonds2

About 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 71777898) has the molecular formula C9H15N3O2S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID71777898
Molecular FormulaC9H15N3O2S2
Molecular Weight261.37 g/mol
Exact Mass261.06
IUPAC Name5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)S(=O)(=O)N1CCc2nc(N)sc2C1
InChIInChI=1S/C9H15N3O2S2/c1-6(2)16(13,14)12-4-3-7-8(5-12)15-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeySMCJIUJLJSMYBB-UHFFFAOYSA-N
XLogP0.82
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505346
5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 28505349
2-amino-N,N-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-sulfonamide
CID 28505358
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413
5-ethylsulfonyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194232
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
1-methylsulfonyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-4-carboxamide
CID 90532801
CID 88582272
CID 88582272
4-fluoro-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532715
2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532688
N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 90527746
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine;molecular fluorine;hydrofluoride
CID 157311752

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 71777898) is 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is CC(C)S(=O)(=O)N1CCc2nc(N)sc2C1.
What is the InChIKey of 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is SMCJIUJLJSMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S2/c1-6(2)16(13,14)12-4-3-7-8(5-12)15-9(10)11-7/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 71777898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).