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

C16H19N5OS — CID 118776725

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cn3ccsc3n2)c2c1CCCC2
InChIInChI=1S/C16H19N5OS/c1-20-13-5-3-2-4-12(13)14(19-20)15(22)17-7-6-11-10-21-8-9-23-16(21)18-11/h8-10H,2-7H2,1H3,(H,17,22)
InChIKeyACXGBVAABHILJZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.98
Rot. Bonds4

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 118776725) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID118776725
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cn3ccsc3n2)c2c1CCCC2
InChIInChI=1S/C16H19N5OS/c1-20-13-5-3-2-4-12(13)14(19-20)15(22)17-7-6-11-10-21-8-9-23-16(21)18-11/h8-10H,2-7H2,1H3,(H,17,22)
InChIKeyACXGBVAABHILJZ-UHFFFAOYSA-N
XLogP1.98
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147
N-[2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-2-oxoethyl]benzamide
CID 110661562
3,4-difluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150810
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-sulfamoylbenzamide
CID 77083416
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150814
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72873815
1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 95197422
3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
CID 25274455

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 118776725) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NCCc2cn3ccsc3n2)c2c1CCCC2.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ACXGBVAABHILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20-13-5-3-2-4-12(13)14(19-20)15(22)17-7-6-11-10-21-8-9-23-16(21)18-11/h8-10H,2-7H2,1H3,(H,17,22).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 118776725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).