cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

C15H22N6OS — CID 91783172

IUPACcyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCN(C)c1nsc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C15H22N6OS/c1-19(2)14-16-15(23-18-14)20-6-3-7-21-11(9-20)8-12(17-21)13(22)10-4-5-10/h8,10,13,22H,3-7,9H2,1-2H3
InChIKeyLZUBRFSOBSSBFY-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.65
Rot. Bonds4

About cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91783172) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91783172
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Namecyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCN(C)c1nsc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1
InChIInChI=1S/C15H22N6OS/c1-19(2)14-16-15(23-18-14)20-6-3-7-21-11(9-20)8-12(17-21)13(22)10-4-5-10/h8,10,13,22H,3-7,9H2,1-2H3
InChIKeyLZUBRFSOBSSBFY-UHFFFAOYSA-N
XLogP1.65
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91783172) is cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CN(C)c1nsc(N2CCCn3nc(C(O)C4CC4)cc3C2)n1.
What is the InChIKey of cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is LZUBRFSOBSSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-19(2)14-16-15(23-18-14)20-6-3-7-21-11(9-20)8-12(17-21)13(22)10-4-5-10/h8,10,13,22H,3-7,9H2,1-2H3.
What are the key properties of cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 334.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91783172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).