[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol

C14H21N5OS — CID 128972573

IUPAC[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1nc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cs1
InChIInChI=1S/C14H21N5OS/c1-10-16-11(9-21-10)6-15-13-4-2-3-5-14(13)19-7-12(8-20)17-18-19/h7,9,13-15,20H,2-6,8H2,1H3/t13-,14+/m0/s1
InChIKeyBHUPAUMUHWCZRI-UONOGXRCSA-N
MW307.42 g/mol
LogP1.81
Rot. Bonds5

About [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol

[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (PubChem CID 128972573) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
PubChem CID128972573
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCc1nc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cs1
InChIInChI=1S/C14H21N5OS/c1-10-16-11(9-21-10)6-15-13-4-2-3-5-14(13)19-7-12(8-20)17-18-19/h7,9,13-15,20H,2-6,8H2,1H3/t13-,14+/m0/s1
InChIKeyBHUPAUMUHWCZRI-UONOGXRCSA-N
XLogP1.81
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol with MolForge

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Related Compounds

[1-[(1R,2S)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol
CID 128990969
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787
[1-[(1R,2S)-2-(1-benzofuran-3-ylmethylamino)cyclohexyl]triazol-4-yl]methanol
CID 154754185
2-cyclohexyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 60961514
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 103701163
cis-(1R,2S)-2-[(S)-ethylsulfinyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 124739593
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193207
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
tert-butyl N-[[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695728
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 100836225
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol (CID 128972573) is [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is Cc1nc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cs1.
What is the InChIKey of [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The InChIKey is BHUPAUMUHWCZRI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10-16-11(9-21-10)6-15-13-4-2-3-5-14(13)19-7-12(8-20)17-18-19/h7,9,13-15,20H,2-6,8H2,1H3/t13-,14+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol has a molecular weight of 307.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 128972573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).