5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H19ClN6OS — CID 120897248

IUPAC5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCc1nc(C2CN(Cc3cnc(N)s3)CCO2)n[nH]1.Cl
InChIInChI=1S/C12H18N6OS.ClH/c1-2-10-15-11(17-16-10)9-7-18(3-4-19-9)6-8-5-14-12(13)20-8;/h5,9H,2-4,6-7H2,1H3,(H2,13,14)(H,15,16,17);1H
InChIKeyJKBZEZYCNBURFZ-UHFFFAOYSA-N
MW330.85 g/mol
LogP1.40
Rot. Bonds4

About 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897248) has the molecular formula C12H19ClN6OS and a molecular weight of 330.85 g/mol. Its IUPAC name is 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897248
Molecular FormulaC12H19ClN6OS
Molecular Weight330.85 g/mol
Exact Mass330.10
IUPAC Name5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCc1nc(C2CN(Cc3cnc(N)s3)CCO2)n[nH]1.Cl
InChIInChI=1S/C12H18N6OS.ClH/c1-2-10-15-11(17-16-10)9-7-18(3-4-19-9)6-8-5-14-12(13)20-8;/h5,9H,2-4,6-7H2,1H3,(H2,13,14)(H,15,16,17);1H
InChIKeyJKBZEZYCNBURFZ-UHFFFAOYSA-N
XLogP1.40
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.85
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
5-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898548
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 97059682
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901768
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(thiadiazol-5-ylmethyl)morpholine
CID 136543263

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897248) is 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CCc1nc(C2CN(Cc3cnc(N)s3)CCO2)n[nH]1.Cl.
What is the InChIKey of 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JKBZEZYCNBURFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS.ClH/c1-2-10-15-11(17-16-10)9-7-18(3-4-19-9)6-8-5-14-12(13)20-8;/h5,9H,2-4,6-7H2,1H3,(H2,13,14)(H,15,16,17);1H.
What are the key properties of 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 330.85 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).