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

C16H20N6O2S — CID 131690264

IUPACN-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESO=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2
InChIInChI=1S/C16H20N6O2S/c23-15(18-11-4-1-2-5-11)14-13-8-21(6-3-7-22(13)10-17-14)16(24)12-9-25-20-19-12/h9-11H,1-8H2,(H,18,23)
InChIKeyNKJOLHGWPKSQOE-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.45
Rot. Bonds3

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

N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (PubChem CID 131690264) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
PubChem CID131690264
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
SMILESO=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2
InChIInChI=1S/C16H20N6O2S/c23-15(18-11-4-1-2-5-11)14-13-8-21(6-3-7-22(13)10-17-14)16(24)12-9-25-20-19-12/h9-11H,1-8H2,(H,18,23)
InChIKeyNKJOLHGWPKSQOE-UHFFFAOYSA-N
XLogP1.45
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 131690336
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687042
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
N-(pyrrolidine-1-carbonyl)thiadiazole-4-carboxamide
CID 2739124
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
8-(3-hydroxycyclobutanecarbonyl)-N-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide;oxalic acid
CID 155870122
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 155871066

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The IUPAC name of N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide (CID 131690264) is N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is O=C(NC1CCCC1)c1ncn2c1CN(C(=O)c1csnn1)CCC2.
What is the InChIKey of N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
The InChIKey is NKJOLHGWPKSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c23-15(18-11-4-1-2-5-11)14-13-8-21(6-3-7-22(13)10-17-14)16(24)12-9-25-20-19-12/h9-11H,1-8H2,(H,18,23).
What are the key properties of N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide?
N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 131690264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).