2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C12H22N4O2S2 — CID 43593455

IUPAC2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCCN(CCC)S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C12H22N4O2S2/c1-3-7-16(8-4-2)20(17,18)15-12-14-10-5-6-13-9-11(10)19-12/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBWRARMNNFJDITG-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.57
Rot. Bonds7

About 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 43593455) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID43593455
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCCN(CCC)S(=O)(=O)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C12H22N4O2S2/c1-3-7-16(8-4-2)20(17,18)15-12-14-10-5-6-13-9-11(10)19-12/h13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBWRARMNNFJDITG-UHFFFAOYSA-N
XLogP1.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.57
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-cyclopropyl-
CID 3062333
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-methyl-
CID 3062334
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyclohexyl-
CID 3062335
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)-carboximidamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-cyano-N'-methyl-
CID 3062340
Thiazolo(5,4-c)pyridine-5(4H)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-N-propyl-
CID 3062353

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 43593455) is 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CCCN(CCC)S(=O)(=O)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is BWRARMNNFJDITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-7-16(8-4-2)20(17,18)15-12-14-10-5-6-13-9-11(10)19-12/h13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 318.47 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 43593455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).