7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine

C13H13BrN2OS — CID 114711573

IUPAC7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cncs2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2OS/c1-15-10-5-12(13-6-16-7-18-13)17-11-4-8(14)2-3-9(10)11/h2-4,6-7,10,12,15H,5H2,1H3
InChIKeyTZMLKBXPXOMJON-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.69
Rot. Bonds2

About 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine

7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711573) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711573
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cncs2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2OS/c1-15-10-5-12(13-6-16-7-18-13)17-11-4-8(14)2-3-9(10)11/h2-4,6-7,10,12,15H,5H2,1H3
InChIKeyTZMLKBXPXOMJON-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-bromo-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947196
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538
7-bromo-N-methyl-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711607
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114711573) is 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cncs2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is TZMLKBXPXOMJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-15-10-5-12(13-6-16-7-18-13)17-11-4-8(14)2-3-9(10)11/h2-4,6-7,10,12,15H,5H2,1H3.
What are the key properties of 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine?
7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 325.23 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).