1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide

C17H25N5O2S — CID 98350764

IUPAC1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC[C@H](CO)Cc3ccsc3)nn2)CC1
InChIInChI=1S/C17H25N5O2S/c18-14-1-3-15(4-2-14)22-9-16(20-21-22)17(24)19-8-13(10-23)7-12-5-6-25-11-12/h5-6,9,11,13-15,23H,1-4,7-8,10,18H2,(H,19,24)/t13-,14?,15?/m1/s1
InChIKeyMAVOLLIHHDXHAK-WLYUNCDWSA-N
MW363.49 g/mol
LogP1.36
Rot. Bonds7

About 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide (PubChem CID 98350764) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
PubChem CID98350764
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)NC[C@H](CO)Cc3ccsc3)nn2)CC1
InChIInChI=1S/C17H25N5O2S/c18-14-1-3-15(4-2-14)22-9-16(20-21-22)17(24)19-8-13(10-23)7-12-5-6-25-11-12/h5-6,9,11,13-15,23H,1-4,7-8,10,18H2,(H,19,24)/t13-,14?,15?/m1/s1
InChIKeyMAVOLLIHHDXHAK-WLYUNCDWSA-N
XLogP1.36
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 95722766
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137340320
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
1-(4-aminocyclohexyl)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]triazole-4-carboxamide
CID 70788678
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide (CID 98350764) is 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide is NC1CCC(n2cc(C(=O)NC[C@H](CO)Cc3ccsc3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide?
The InChIKey is MAVOLLIHHDXHAK-WLYUNCDWSA-N. The full InChI is InChI=1S/C17H25N5O2S/c18-14-1-3-15(4-2-14)22-9-16(20-21-22)17(24)19-8-13(10-23)7-12-5-6-25-11-12/h5-6,9,11,13-15,23H,1-4,7-8,10,18H2,(H,19,24)/t13-,14?,15?/m1/s1.
What are the key properties of 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 98350764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).