N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

C15H18N4OS — CID 106370282

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCc1nc(CNC(c2cccs2)c2nccn2C)oc1C
InChIInChI=1S/C15H18N4OS/c1-10-11(2)20-13(18-10)9-17-14(12-5-4-8-21-12)15-16-6-7-19(15)3/h4-8,14,17H,9H2,1-3H3
InChIKeyLMOHHHUUNOSDFR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.97
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (PubChem CID 106370282) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
PubChem CID106370282
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
SMILESCc1nc(CNC(c2cccs2)c2nccn2C)oc1C
InChIInChI=1S/C15H18N4OS/c1-10-11(2)20-13(18-10)9-17-14(12-5-4-8-21-12)15-16-6-7-19(15)3/h4-8,14,17H,9H2,1-3H3
InChIKeyLMOHHHUUNOSDFR-UHFFFAOYSA-N
XLogP2.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine (CID 106370282) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is Cc1nc(CNC(c2cccs2)c2nccn2C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
The InChIKey is LMOHHHUUNOSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-11(2)20-13(18-10)9-17-14(12-5-4-8-21-12)15-16-6-7-19(15)3/h4-8,14,17H,9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 106370282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).