6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

C15H17BrN2S — CID 63630641

IUPAC6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCNC1(c2nc(C)cs2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H17BrN2S/c1-10-9-19-14(18-10)15(17-2)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyUBGILOWDSVELRF-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.82
Rot. Bonds2

About 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63630641) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63630641
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCNC1(c2nc(C)cs2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H17BrN2S/c1-10-9-19-14(18-10)15(17-2)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,9,17H,5-6,8H2,1-2H3
InChIKeyUBGILOWDSVELRF-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510891
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-dihydroinden-2-amine
CID 61331971
6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632749
6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632916
6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632062
N,1,5-trimethyl-3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 81467519
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754919
ethyl 6-bromo-2-(methylamino)-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 63632055
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1,3-dihydroinden-2-amine
CID 61332513
N-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61335254

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63630641) is 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is CNC1(c2nc(C)cs2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is UBGILOWDSVELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-10-9-19-14(18-10)15(17-2)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,9,17H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 337.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63630641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).