N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

C17H16N6O2S — CID 131690336

IUPACN-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2
InChIInChI=1S/C17H16N6O2S/c24-16(19-12-5-2-1-3-6-12)15-14-9-22(7-4-8-23(14)11-18-15)17(25)13-10-26-21-20-13/h1-3,5-6,10-11H,4,7-9H2,(H,19,24)
InChIKeyABGPNIZFFHQYLG-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.03
Rot. Bonds3

About N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 131690336) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID131690336
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2
InChIInChI=1S/C17H16N6O2S/c24-16(19-12-5-2-1-3-6-12)15-14-9-22(7-4-8-23(14)11-18-15)17(25)13-10-26-21-20-13/h1-3,5-6,10-11H,4,7-9H2,(H,19,24)
InChIKeyABGPNIZFFHQYLG-UHFFFAOYSA-N
XLogP2.03
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 131690264
N-(pyrrolidine-1-carbonyl)thiadiazole-4-carboxamide
CID 2739124
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 4984386
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
N-[4-(2-phenoxyethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide
CID 10135570
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
5-(thiadiazole-4-carbonylamino)benzene-1,3-dicarboxylic acid
CID 65214706
N-phenyl-5-(1H-pyrazole-5-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131686422
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
N-[4-[2-(dimethylamino)ethyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 126829256

Frequently Asked Questions

What is the IUPAC name of N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 131690336) is N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is O=C(Nc1ccccc1)c1ncn2c1CN(C(=O)c1csnn1)CCC2.
What is the InChIKey of N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is ABGPNIZFFHQYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c24-16(19-12-5-2-1-3-6-12)15-14-9-22(7-4-8-23(14)11-18-15)17(25)13-10-26-21-20-13/h1-3,5-6,10-11H,4,7-9H2,(H,19,24).
What are the key properties of N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 131690336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).