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

C10H14N4OS — CID 114915968

IUPAC2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc(CN(C)C)no2)c1N
InChIInChI=1S/C10H14N4OS/c1-6-5-16-9(8(6)11)10-12-7(13-15-10)4-14(2)3/h5H,4,11H2,1-3H3
InChIKeyKQSROEMUBLNUSM-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.75
Rot. Bonds3

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

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (PubChem CID 114915968) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
PubChem CID114915968
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
SMILESCc1csc(-c2nc(CN(C)C)no2)c1N
InChIInChI=1S/C10H14N4OS/c1-6-5-16-9(8(6)11)10-12-7(13-15-10)4-14(2)3/h5H,4,11H2,1-3H3
InChIKeyKQSROEMUBLNUSM-UHFFFAOYSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915935
4-methyl-2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114916026
4-methyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiophen-3-amine
CID 114915842
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114916062
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915948
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 103405255
2-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 106818882
4-methyl-2-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915917
2-bromo-4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79078243
5-chloro-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79077569

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine (CID 114915968) is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is Cc1csc(-c2nc(CN(C)C)no2)c1N.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
The InChIKey is KQSROEMUBLNUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-5-16-9(8(6)11)10-12-7(13-15-10)4-14(2)3/h5H,4,11H2,1-3H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine?
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine has a molecular weight of 238.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine is sourced from PubChem (CID 114915968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).