N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide

C11H14N4O2S — CID 99983177

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@](C)(O)c2cccs2)nn1
InChIInChI=1S/C11H14N4O2S/c1-11(17,9-4-3-5-18-9)7-12-10(16)8-6-15(2)14-13-8/h3-6,17H,7H2,1-2H3,(H,12,16)/t11-/m1/s1
InChIKeyNCXHFAFMCPUQGW-LLVKDONJSA-N
MW266.33 g/mol
LogP0.51
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide

N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide (PubChem CID 99983177) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
PubChem CID99983177
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@](C)(O)c2cccs2)nn1
InChIInChI=1S/C11H14N4O2S/c1-11(17,9-4-3-5-18-9)7-12-10(16)8-6-15(2)14-13-8/h3-6,17H,7H2,1-2H3,(H,12,16)/t11-/m1/s1
InChIKeyNCXHFAFMCPUQGW-LLVKDONJSA-N
XLogP0.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111441960
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
CID 99873884
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 71985094
1-benzyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)pyrazole-4-carboxamide
CID 111442127
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide (CID 99983177) is N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NC[C@@](C)(O)c2cccs2)nn1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide?
The InChIKey is NCXHFAFMCPUQGW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11(17,9-4-3-5-18-9)7-12-10(16)8-6-15(2)14-13-8/h3-6,17H,7H2,1-2H3,(H,12,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide?
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 99983177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).