1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide

C17H17N5O2S — CID 126825323

IUPAC1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cn(CC2CCOC2)nn1
InChIInChI=1S/C17H17N5O2S/c23-16(15-10-22(21-20-15)9-12-5-7-24-11-12)19-14-3-1-13(2-4-14)17-18-6-8-25-17/h1-4,6,8,10,12H,5,7,9,11H2,(H,19,23)
InChIKeyYUASVFVQCYIHMX-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.69
Rot. Bonds5

About 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide

1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide (PubChem CID 126825323) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
PubChem CID126825323
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cn(CC2CCOC2)nn1
InChIInChI=1S/C17H17N5O2S/c23-16(15-10-22(21-20-15)9-12-5-7-24-11-12)19-14-3-1-13(2-4-14)17-18-6-8-25-17/h1-4,6,8,10,12H,5,7,9,11H2,(H,19,23)
InChIKeyYUASVFVQCYIHMX-UHFFFAOYSA-N
XLogP2.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(oxolan-3-ylmethyl)-N-(3-propan-2-ylpyrazin-2-yl)triazole-4-carboxamide
CID 166258650
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
CID 54862523
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 119686460
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclohexane-1-carboxamide
CID 64822199
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide (CID 126825323) is 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)c1cn(CC2CCOC2)nn1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
The InChIKey is YUASVFVQCYIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-16(15-10-22(21-20-15)9-12-5-7-24-11-12)19-14-3-1-13(2-4-14)17-18-6-8-25-17/h1-4,6,8,10,12H,5,7,9,11H2,(H,19,23).
What are the key properties of 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide?
1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-N-[4-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 126825323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).