N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C13H20N4OS — CID 167812405

IUPACN,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)s1
InChIInChI=1S/C13H20N4OS/c1-9-6-14-12(19-9)11-15-10(18-16-11)7-17(5)8-13(2,3)4/h6H,7-8H2,1-5H3
InChIKeyCJZJSNGXFSEJEZ-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.98
Rot. Bonds4

About N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 167812405) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID167812405
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)s1
InChIInChI=1S/C13H20N4OS/c1-9-6-14-12(19-9)11-15-10(18-16-11)7-17(5)8-13(2,3)4/h6H,7-8H2,1-5H3
InChIKeyCJZJSNGXFSEJEZ-UHFFFAOYSA-N
XLogP2.98
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 139019236
N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 146081722
4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 139019206
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 55816296
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929443
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 47049268
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
3-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid
CID 119911396
2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63013239
N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 35881185

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 167812405) is N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is Cc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)s1.
What is the InChIKey of N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is CJZJSNGXFSEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-6-14-12(19-9)11-15-10(18-16-11)7-17(5)8-13(2,3)4/h6H,7-8H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 280.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 167812405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).