1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C12H16N2OS — CID 103275482

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(C)sc2C)o1
InChIInChI=1S/C12H16N2OS/c1-8-5-14-12(15-8)7-13-6-11-4-9(2)16-10(11)3/h4-5,13H,6-7H2,1-3H3
InChIKeyMSNBHMGZDCECMJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103275482) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103275482
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(C)sc2C)o1
InChIInChI=1S/C12H16N2OS/c1-8-5-14-12(15-8)7-13-6-11-4-9(2)16-10(11)3/h4-5,13H,6-7H2,1-3H3
InChIKeyMSNBHMGZDCECMJ-UHFFFAOYSA-N
XLogP2.95
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103275482) is 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2cc(C)sc2C)o1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is MSNBHMGZDCECMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-14-12(15-8)7-13-6-11-4-9(2)16-10(11)3/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103275482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).