[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride

C14H24ClN5OS — CID 154905752

IUPAC[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCC(C)Cn1c(CN)nnc1SCc1cc(C(C)C)on1.Cl
InChIInChI=1S/C14H23N5OS.ClH/c1-9(2)7-19-13(6-15)16-17-14(19)21-8-11-5-12(10(3)4)20-18-11;/h5,9-10H,6-8,15H2,1-4H3;1H
InChIKeyCBVCWSBMOUFIOU-UHFFFAOYSA-N
MW345.90 g/mol
LogP3.22
Rot. Bonds7

About [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride

[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride (PubChem CID 154905752) has the molecular formula C14H24ClN5OS and a molecular weight of 345.90 g/mol. Its IUPAC name is [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
PubChem CID154905752
Molecular FormulaC14H24ClN5OS
Molecular Weight345.90 g/mol
Exact Mass345.14
IUPAC Name[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
SMILESCC(C)Cn1c(CN)nnc1SCc1cc(C(C)C)on1.Cl
InChIInChI=1S/C14H23N5OS.ClH/c1-9(2)7-19-13(6-15)16-17-14(19)21-8-11-5-12(10(3)4)20-18-11;/h5,9-10H,6-8,15H2,1-4H3;1H
InChIKeyCBVCWSBMOUFIOU-UHFFFAOYSA-N
XLogP3.22
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

[4-methyl-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154906563
[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 55204862
2-[4-(4-fluorophenyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine
CID 121499183
[4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63315717
3-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 8940101
[5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313830
[4-ethyl-5-(1,2-oxazol-5-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313232
[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313706
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313190
[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63313954
[5-(3,5-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594135
[5-cyclopropyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594183

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride (CID 154905752) is [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride is CC(C)Cn1c(CN)nnc1SCc1cc(C(C)C)on1.Cl.
What is the InChIKey of [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride?
The InChIKey is CBVCWSBMOUFIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS.ClH/c1-9(2)7-19-13(6-15)16-17-14(19)21-8-11-5-12(10(3)4)20-18-11;/h5,9-10H,6-8,15H2,1-4H3;1H.
What are the key properties of [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride?
[4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)-5-[(5-propan-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 154905752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).