N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide

C11H13ClN4O2S — CID 100728871

IUPACN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
SMILESCO[C@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S/c1-16-6-7(14-15-16)11(17)13-5-8(18-2)9-3-4-10(12)19-9/h3-4,6,8H,5H2,1-2H3,(H,13,17)/t8-/m1/s1
InChIKeyUJYMAWSREIWUMQ-MRVPVSSYSA-N
MW300.77 g/mol
LogP1.65
Rot. Bonds5

About N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide (PubChem CID 100728871) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
PubChem CID100728871
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC NameN-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
SMILESCO[C@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S/c1-16-6-7(14-15-16)11(17)13-5-8(18-2)9-3-4-10(12)19-9/h3-4,6,8H,5H2,1-2H3,(H,13,17)/t8-/m1/s1
InChIKeyUJYMAWSREIWUMQ-MRVPVSSYSA-N
XLogP1.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 71810381
N-(o-chlorophenyl)methyl-1-[(S)-2-hydroxy-2-(2-thienyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 97040522
N-[(1,4-dioxan-2-yl)methyl]-1-[2-hydroxy-2-(thiophen-2-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 121016692
N-(2-chlorobenzyl)-1-(2-hydroxy-2-(thiophen-2-yl)ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 71791925
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 91631013
N-[(R)-2-methoxy-2-(3-thienyl)ethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 97427362
N-[(S)-2-hydroxy-2-(3-methyl-2-thienyl)ethyl]-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 99873642
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 47071790
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,2-diethoxyethyl)triazole-4-carboxamide
CID 56256260
1-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]triazole-4-carboxamide
CID 65944943
1-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyltriazole-4-carboxamide
CID 65946486
1-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 65946487

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide (CID 100728871) is N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide is CO[C@H](CNC(=O)c1cn(C)nn1)c1ccc(Cl)s1.
What is the InChIKey of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is UJYMAWSREIWUMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-16-6-7(14-15-16)11(17)13-5-8(18-2)9-3-4-10(12)19-9/h3-4,6,8H,5H2,1-2H3,(H,13,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide?
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 300.77 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 100728871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).