N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C16H20N6O3S — CID 91771432

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cn3ccsc3n2)C1
InChIInChI=1S/C16H20N6O3S/c1-25-4-2-22-13(9-23)19-20-14(22)10-6-11(7-10)17-15(24)12-8-21-3-5-26-16(21)18-12/h3,5,8,10-11,23H,2,4,6-7,9H2,1H3,(H,17,24)
InChIKeyIWJYLZBMIDFNOX-UHFFFAOYSA-N
MW376.44 g/mol
LogP0.80
Rot. Bonds7

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 91771432) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID91771432
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2cn3ccsc3n2)C1
InChIInChI=1S/C16H20N6O3S/c1-25-4-2-22-13(9-23)19-20-14(22)10-6-11(7-10)17-15(24)12-8-21-3-5-26-16(21)18-12/h3,5,8,10-11,23H,2,4,6-7,9H2,1H3,(H,17,24)
InChIKeyIWJYLZBMIDFNOX-UHFFFAOYSA-N
XLogP0.80
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-({4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}carbonyl)imidazo[2,1-b][1,3]thiazole
CID 70778606
N-{cis-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91774281
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 91783314
N-[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56705422
N-[trans-4-(4H-1,2,4-triazol-4-yl)cyclohexyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56722614
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 50957382
N-{2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 50976032
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70730353
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70732121
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70736042
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70750432
N-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70755481

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 91771432) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2cn3ccsc3n2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is IWJYLZBMIDFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-25-4-2-22-13(9-23)19-20-14(22)10-6-11(7-10)17-15(24)12-8-21-3-5-26-16(21)18-12/h3,5,8,10-11,23H,2,4,6-7,9H2,1H3,(H,17,24).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 91771432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).