1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C15H18N2OS — CID 106372736

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3ccccc3S2)oc1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)18-15(17-10)9-16-8-13-7-12-5-3-4-6-14(12)19-13/h3-6,13,16H,7-9H2,1-2H3
InChIKeyMTBBZMKRQQOWSM-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106372736) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106372736
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3ccccc3S2)oc1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)18-15(17-10)9-16-8-13-7-12-5-3-4-6-14(12)19-13/h3-6,13,16H,7-9H2,1-2H3
InChIKeyMTBBZMKRQQOWSM-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106372033
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 79222491
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417654
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045174
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
2,6-dibromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylaniline
CID 79213445
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106370727
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107412803
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805298
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethyl-1,2,4-triazole
CID 79349818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106372736) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCC2Cc3ccccc3S2)oc1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is MTBBZMKRQQOWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-11(2)18-15(17-10)9-16-8-13-7-12-5-3-4-6-14(12)19-13/h3-6,13,16H,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106372736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).