N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C14H22N4OS — CID 106963006

IUPACN-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)C(C)Cc2cccs2)o1
InChIInChI=1S/C14H22N4OS/c1-10(2)15-9-13-16-17-14(19-13)18(4)11(3)8-12-6-5-7-20-12/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyKVXGRVBQQYNCMC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.70
Rot. Bonds7

About N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine

N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963006) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106963006
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(N(C)C(C)Cc2cccs2)o1
InChIInChI=1S/C14H22N4OS/c1-10(2)15-9-13-16-17-14(19-13)18(4)11(3)8-12-6-5-7-20-12/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyKVXGRVBQQYNCMC-UHFFFAOYSA-N
XLogP2.70
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
5-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106971319
N-benzyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966869
N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490150
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
2-N,4-N,5-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849338
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
N-methyl-6-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 83127076
2-N-ethyl-4-N,6-dimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80849189

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106963006) is N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(N(C)C(C)Cc2cccs2)o1.
What is the InChIKey of N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KVXGRVBQQYNCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10(2)15-9-13-16-17-14(19-13)18(4)11(3)8-12-6-5-7-20-12/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).