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

C15H24N6OS — CID 91840158

IUPAC2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCCc1nnc(N2CCCn3nc(C(O)CN(C)C)cc3C2)s1
InChIInChI=1S/C15H24N6OS/c1-4-14-16-17-15(23-14)20-6-5-7-21-11(9-20)8-12(18-21)13(22)10-19(2)3/h8,13,22H,4-7,9-10H2,1-3H3
InChIKeySZYFETOVFBMOTP-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.30
Rot. Bonds5

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

2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 91840158) has the molecular formula C15H24N6OS and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID91840158
Molecular FormulaC15H24N6OS
Molecular Weight336.47 g/mol
Exact Mass336.17
IUPAC Name2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCCc1nnc(N2CCCn3nc(C(O)CN(C)C)cc3C2)s1
InChIInChI=1S/C15H24N6OS/c1-4-14-16-17-15(23-14)20-6-5-7-21-11(9-20)8-12(18-21)13(22)10-19(2)3/h8,13,22H,4-7,9-10H2,1-3H3
InChIKeySZYFETOVFBMOTP-UHFFFAOYSA-N
XLogP1.30
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
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1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
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(1S)-1-[5-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 124680026
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1-[5-(2,6-dimethoxypyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91774898
[2-[2-(dimethylamino)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
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[5-(6-chloro-1,3-benzothiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-cyclopropylmethanol
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(1S)-1-[5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 99976134
(1S)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974341
(1R)-1-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 99974340

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 91840158) is 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is CCc1nnc(N2CCCn3nc(C(O)CN(C)C)cc3C2)s1.
What is the InChIKey of 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is SZYFETOVFBMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6OS/c1-4-14-16-17-15(23-14)20-6-5-7-21-11(9-20)8-12(18-21)13(22)10-19(2)3/h8,13,22H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 336.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 91840158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).