N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C15H20N4O3S — CID 42525623

IUPACN-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(C[C@H]2CCCO2)nn1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H20N4O3S/c20-6-5-18(10-13-4-2-8-23-13)15(21)14-11-19(17-16-14)9-12-3-1-7-22-12/h2,4,8,11-12,20H,1,3,5-7,9-10H2/t12-/m1/s1
InChIKeyVCPRKXWRIKUZKY-GFCCVEGCSA-N
MW336.42 g/mol
LogP1.15
Rot. Bonds7

About N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 42525623) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID42525623
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(C[C@H]2CCCO2)nn1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H20N4O3S/c20-6-5-18(10-13-4-2-8-23-13)15(21)14-11-19(17-16-14)9-12-3-1-7-22-12/h2,4,8,11-12,20H,1,3,5-7,9-10H2/t12-/m1/s1
InChIKeyVCPRKXWRIKUZKY-GFCCVEGCSA-N
XLogP1.15
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 134046136
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
1-[[(2S)-oxolan-2-yl]methyl]-N-prop-2-enyl-N-prop-2-ynyltriazole-4-carboxamide
CID 25454008
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42195701
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
3,4-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60601065
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 42525623) is N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is O=C(c1cn(C[C@H]2CCCO2)nn1)N(CCO)Cc1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is VCPRKXWRIKUZKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-6-5-18(10-13-4-2-8-23-13)15(21)14-11-19(17-16-14)9-12-3-1-7-22-12/h2,4,8,11-12,20H,1,3,5-7,9-10H2/t12-/m1/s1.
What are the key properties of N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 42525623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).