5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C16H18N6S — CID 70774462

IUPAC5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3cc4n(n3)CCCNC4)s2)cc1
InChIInChI=1S/C16H18N6S/c1-2-5-12(6-3-1)15-19-20-16(23-15)18-10-13-9-14-11-17-7-4-8-22(14)21-13/h1-3,5-6,9,17H,4,7-8,10-11H2,(H,18,20)
InChIKeyQLJRQAWUYZCANK-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.51
Rot. Bonds4

About 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 70774462) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID70774462
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3cc4n(n3)CCCNC4)s2)cc1
InChIInChI=1S/C16H18N6S/c1-2-5-12(6-3-1)15-19-20-16(23-15)18-10-13-9-14-11-17-7-4-8-22(14)21-13/h1-3,5-6,9,17H,4,7-8,10-11H2,(H,18,20)
InChIKeyQLJRQAWUYZCANK-UHFFFAOYSA-N
XLogP2.51
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 70736280
2-[[(4R)-4-phenylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95719438
2-[[(4S)-4-phenylazepan-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95719439
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 70704686
1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3-(2-thiophen-2-ylethyl)urea
CID 70726013
5-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 74238439
2-methyl-5-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]phenyl]-1,3,4-thiadiazole
CID 70754023
4-(6-aminopyrimidin-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide
CID 121498277
4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide
CID 70748957
2-[[[benzyl(methyl)sulfamoyl]amino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154895925
3-(1,3-benzodioxol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propanamide;hydrochloride
CID 154897119

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 70774462) is 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCc3cc4n(n3)CCCNC4)s2)cc1.
What is the InChIKey of 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QLJRQAWUYZCANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-2-5-12(6-3-1)15-19-20-16(23-15)18-10-13-9-14-11-17-7-4-8-22(14)21-13/h1-3,5-6,9,17H,4,7-8,10-11H2,(H,18,20).
What are the key properties of 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 70774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).