N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C15H19N7OS — CID 50958056

IUPACN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1
InChIInChI=1S/C15H19N7OS/c1-10(13-8-22-15(18-13)24-9-16-22)17-14(23)12-6-11-7-20(2)4-3-5-21(11)19-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,23)
InChIKeyHEEXBWRCDIAELY-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.31
Rot. Bonds3

About N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50958056) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50958056
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1
InChIInChI=1S/C15H19N7OS/c1-10(13-8-22-15(18-13)24-9-16-22)17-14(23)12-6-11-7-20(2)4-3-5-21(11)19-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,23)
InChIKeyHEEXBWRCDIAELY-UHFFFAOYSA-N
XLogP1.31
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-1-propan-2-ylpyrazole-3-carboxamide
CID 128647953
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950166
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50964579
3-isopropyl-1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 50966591
N-[2-(1H-imidazol-4-yl)ethyl]-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50981878
5-(difluoromethyl)-1-methyl-N-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxo-1,4-thiazepan-1-ylidene]pyrazole-3-carboxamide
CID 167962724
N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950258
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50957112
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971982
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-3-isobutyl-1H-pyrazole-5-carboxamide
CID 50978740
5-isopropyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50956874
5-methyl-N-[1-(1-methyl-1H-imidazol-2-yl)butyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50958778

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50958056) is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(NC(=O)c1cc2n(n1)CCCN(C)C2)c1cn2ncsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is HEEXBWRCDIAELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-10(13-8-22-15(18-13)24-9-16-22)17-14(23)12-6-11-7-20(2)4-3-5-21(11)19-12/h6,8-10H,3-5,7H2,1-2H3,(H,17,23).
What are the key properties of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).