5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H20ClN5O2S — CID 120905152

IUPAC5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1nc(C2COCCN2Cc2cnc(N)s2)no1.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-8(2)12-16-11(17-20-12)10-7-19-4-3-18(10)6-9-5-15-13(14)21-9;/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15);1H
InChIKeyFAXFVBRRSPOCJN-UHFFFAOYSA-N
MW345.86 g/mol
LogP2.23
Rot. Bonds4

About 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905152) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905152
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC Name5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1nc(C2COCCN2Cc2cnc(N)s2)no1.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-8(2)12-16-11(17-20-12)10-7-19-4-3-18(10)6-9-5-15-13(14)21-9;/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15);1H
InChIKeyFAXFVBRRSPOCJN-UHFFFAOYSA-N
XLogP2.23
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905152) is 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)c1nc(C2COCCN2Cc2cnc(N)s2)no1.Cl.
What is the InChIKey of 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FAXFVBRRSPOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S.ClH/c1-8(2)12-16-11(17-20-12)10-7-19-4-3-18(10)6-9-5-15-13(14)21-9;/h5,8,10H,3-4,6-7H2,1-2H3,(H2,14,15);1H.
What are the key properties of 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 345.86 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).