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

C14H16N2OS — CID 106370727

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1nc(CNC2CSc3ccccc32)oc1C
InChIInChI=1S/C14H16N2OS/c1-9-10(2)17-14(16-9)7-15-12-8-18-13-6-4-3-5-11(12)13/h3-6,12,15H,7-8H2,1-2H3
InChIKeyXCOIKIGEHPJZOC-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.23
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 106370727) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID106370727
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
SMILESCc1nc(CNC2CSc3ccccc32)oc1C
InChIInChI=1S/C14H16N2OS/c1-9-10(2)17-14(16-9)7-15-12-8-18-13-6-4-3-5-11(12)13/h3-6,12,15H,7-8H2,1-2H3
InChIKeyXCOIKIGEHPJZOC-UHFFFAOYSA-N
XLogP3.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81327649
N-(1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115732522
N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81344909
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 102673114
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81345629
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 106395267
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81297831
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81333466
N-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993378
N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993268
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine (CID 106370727) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is Cc1nc(CNC2CSc3ccccc32)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is XCOIKIGEHPJZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-10(2)17-14(16-9)7-15-12-8-18-13-6-4-3-5-11(12)13/h3-6,12,15H,7-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 260.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 106370727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).