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

C16H20N6OS — CID 50950166

IUPACN-(1-imidazo[2,1-b][1,3]thiazol-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)c1cn2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)18-14)17-15(23)13-8-12-9-20(2)4-3-5-22(12)19-13/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,23)
InChIKeyLMSMVVOYGJTARG-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.92
Rot. Bonds3

About N-(1-imidazo[2,1-b][1,3]thiazol-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]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50950166) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3]thiazol-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]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50950166
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC NameN-(1-imidazo[2,1-b][1,3]thiazol-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)c1cn2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)18-14)17-15(23)13-8-12-9-20(2)4-3-5-22(12)19-13/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,23)
InChIKeyLMSMVVOYGJTARG-UHFFFAOYSA-N
XLogP1.92
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-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]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50950166) is N-(1-imidazo[2,1-b][1,3]thiazol-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]thiazol-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]thiazol-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)c1cn2ccsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is LMSMVVOYGJTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11(14-10-21-6-7-24-16(21)18-14)17-15(23)13-8-12-9-20(2)4-3-5-22(12)19-13/h6-8,10-11H,3-5,9H2,1-2H3,(H,17,23).
What are the key properties of N-(1-imidazo[2,1-b][1,3]thiazol-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]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50950166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).