5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C10H14N4OS — CID 106963509

IUPAC5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1CNc1nnc(C(C)N)o1
InChIInChI=1S/C10H14N4OS/c1-6-3-4-16-8(6)5-12-10-14-13-9(15-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyFSLRNSGHAFQMQN-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.07
Rot. Bonds4

About 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963509) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963509
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1CNc1nnc(C(C)N)o1
InChIInChI=1S/C10H14N4OS/c1-6-3-4-16-8(6)5-12-10-14-13-9(15-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyFSLRNSGHAFQMQN-UHFFFAOYSA-N
XLogP2.07
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958251
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963515
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 110456355
5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79003136
N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 78954788
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106969317
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106963509) is 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccsc1CNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FSLRNSGHAFQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-3-4-16-8(6)5-12-10-14-13-9(15-10)7(2)11/h3-4,7H,5,11H2,1-2H3,(H,12,14).
What are the key properties of 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).