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

C14H16N2OS — CID 106372033

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2Cc3ccccc3S2)o1
InChIInChI=1S/C14H16N2OS/c1-10-7-16-14(17-10)9-15-8-12-6-11-4-2-3-5-13(11)18-12/h2-5,7,12,15H,6,8-9H2,1H3
InChIKeyIAZOKCIBTFODQT-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.79
Rot. Bonds4

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

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106372033) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106372033
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCC2Cc3ccccc3S2)o1
InChIInChI=1S/C14H16N2OS/c1-10-7-16-14(17-10)9-15-8-12-6-11-4-2-3-5-13(11)18-12/h2-5,7,12,15H,6,8-9H2,1H3
InChIKeyIAZOKCIBTFODQT-UHFFFAOYSA-N
XLogP2.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 79222628
1-cyclopropyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275583
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103275527
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045174
2,6-dibromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylaniline
CID 79213445
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106372033) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1cnc(CNCC2Cc3ccccc3S2)o1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is IAZOKCIBTFODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-7-16-14(17-10)9-15-8-12-6-11-4-2-3-5-13(11)18-12/h2-5,7,12,15H,6,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.79, 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-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106372033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).