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

C10H16N4O2S2 — CID 43593464

IUPACN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCC1
InChIInChI=1S/C10H16N4O2S2/c15-18(16,14-5-1-2-6-14)13-10-12-8-3-4-11-7-9(8)17-10/h11H,1-7H2,(H,12,13)
InChIKeyIBHDVPDGRKNNHI-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.54
Rot. Bonds3

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

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 43593464) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
PubChem CID43593464
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCC1
InChIInChI=1S/C10H16N4O2S2/c15-18(16,14-5-1-2-6-14)13-10-12-8-3-4-11-7-9(8)17-10/h11H,1-7H2,(H,12,13)
InChIKeyIBHDVPDGRKNNHI-UHFFFAOYSA-N
XLogP0.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 2397998
5-Ethyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine
CID 2084043
1-Ethyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593384
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)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-(1-methylethyl)-
CID 3062338
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
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyclopentyl-
CID 3088603
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-(propan-2-yl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide (CID 43593464) is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)N1CCCC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is IBHDVPDGRKNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c15-18(16,14-5-1-2-6-14)13-10-12-8-3-4-11-7-9(8)17-10/h11H,1-7H2,(H,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide?
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 0.54, 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)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43593464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).