N,5-dimethyl-1-benzothiophen-2-amine

C10H11NS — CID 142226168

IUPACN,5-dimethyl-1-benzothiophen-2-amine
SMILESCNc1cc2cc(C)ccc2s1
InChIInChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(11-2)12-9/h3-6,11H,1-2H3
InChIKeyIZXDFZOHKCZFKH-UHFFFAOYSA-N
MW177.27 g/mol
LogP3.25
Rot. Bonds1

About N,5-dimethyl-1-benzothiophen-2-amine

N,5-dimethyl-1-benzothiophen-2-amine (PubChem CID 142226168) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is N,5-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-benzothiophen-2-amine
PubChem CID142226168
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC NameN,5-dimethyl-1-benzothiophen-2-amine
SMILESCNc1cc2cc(C)ccc2s1
InChIInChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(11-2)12-9/h3-6,11H,1-2H3
InChIKeyIZXDFZOHKCZFKH-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-benzothiophen-2-amine
CID 18186472
5-bromo-N-methyl-1-benzothiophen-2-amine
CID 172722312
N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
CID 166850415
N,N,5-trimethyl-1-benzothiophen-2-amine
CID 166120724
N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide
CID 59030871
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
S-methyl 5-methyl-1-benzothiophene-2-carbothioate
CID 118424955
N-methylthieno[2,3-b]pyridin-2-amine
CID 119083689
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of N,5-dimethyl-1-benzothiophen-2-amine (CID 142226168) is N,5-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for N,5-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for N,5-dimethyl-1-benzothiophen-2-amine is CNc1cc2cc(C)ccc2s1.
What is the InChIKey of N,5-dimethyl-1-benzothiophen-2-amine?
The InChIKey is IZXDFZOHKCZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-3-4-9-8(5-7)6-10(11-2)12-9/h3-6,11H,1-2H3.
What are the key properties of N,5-dimethyl-1-benzothiophen-2-amine?
N,5-dimethyl-1-benzothiophen-2-amine has a molecular weight of 177.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 142226168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).