(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C16H18N2OS2 — CID 25491748

IUPAC(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-11(15-5-4-7-21-15)18(3)9-14-12(2)19-16(17-14)13-6-8-20-10-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyJUHXCZPJMWNEDQ-NSHDSACASA-N
MW318.47 g/mol
LogP4.97
Rot. Bonds5

About (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine

(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 25491748) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID25491748
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-11(15-5-4-7-21-15)18(3)9-14-12(2)19-16(17-14)13-6-8-20-10-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1
InChIKeyJUHXCZPJMWNEDQ-NSHDSACASA-N
XLogP4.97
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 56854486
(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 25298863
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methanamine
CID 29028159
1-(1-benzothiophen-2-yl)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 26318871
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 42287529
N-ethyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 42190219
(1R)-N-methyl-N-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42244928
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
4,5-dimethyl-2-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methylsulfinylmethyl]-1,3-oxazole
CID 75519913
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 94489500

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 25491748) is (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine is Cc1oc(-c2ccsc2)nc1CN(C)[C@@H](C)c1cccs1.
What is the InChIKey of (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is JUHXCZPJMWNEDQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-11(15-5-4-7-21-15)18(3)9-14-12(2)19-16(17-14)13-6-8-20-10-13/h4-8,10-11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 318.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 25491748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).