N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide

C12H20N4O2S2 — CID 43593467

IUPACN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCCCC1
InChIInChI=1S/C12H20N4O2S2/c17-20(18,16-7-3-1-2-4-8-16)15-12-14-10-5-6-13-9-11(10)19-12/h13H,1-9H2,(H,14,15)
InChIKeyIEUXVWRRJBGOLI-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.32
Rot. Bonds3

About N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide (PubChem CID 43593467) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide
PubChem CID43593467
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCCCC1
InChIInChI=1S/C12H20N4O2S2/c17-20(18,16-7-3-1-2-4-8-16)15-12-14-10-5-6-13-9-11(10)19-12/h13H,1-9H2,(H,14,15)
InChIKeyIEUXVWRRJBGOLI-UHFFFAOYSA-N
XLogP1.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine
CID 2084043
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-ethyl-
CID 3062336
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-butyl-
CID 3062337
Thiazolo(5,4-c)pyridine-5(4H)-carbothioamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062339
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-propyl-
CID 3062353
Guanidine, (5-(4-(methylamino)-1,2,5-thiadiazolidin-3-yl)-4,5,6,7-tetrahydrothiazolo(5,4-c)pyridin-2-yl)-, S,S-dioxide
CID 3088604
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 13519687
5-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 2123626
N,N-dimethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017643
1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593411
1,1,1-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
CID 43593476
4,4,4-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)butane-1-sulfonamide
CID 83058650

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide (CID 43593467) is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCCCC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide?
The InChIKey is IEUXVWRRJBGOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c17-20(18,16-7-3-1-2-4-8-16)15-12-14-10-5-6-13-9-11(10)19-12/h13H,1-9H2,(H,14,15).
What are the key properties of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide?
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 43593467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).