1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

C10H10Br2N2S2 — CID 102842851

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1nc(C)cs1
InChIInChI=1S/C10H10Br2N2S2/c1-5-4-15-10(14-5)8(13-2)7-3-6(11)9(12)16-7/h3-4,8,13H,1-2H3
InChIKeyMJNFKSZCDRCKMC-UHFFFAOYSA-N
MW382.15 g/mol
LogP4.35
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 102842851) has the molecular formula C10H10Br2N2S2 and a molecular weight of 382.15 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID102842851
Molecular FormulaC10H10Br2N2S2
Molecular Weight382.15 g/mol
Exact Mass379.87
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1nc(C)cs1
InChIInChI=1S/C10H10Br2N2S2/c1-5-4-15-10(14-5)8(13-2)7-3-6(11)9(12)16-7/h3-4,8,13H,1-2H3
InChIKeyMJNFKSZCDRCKMC-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854900
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61331525
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 102842851) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is CNC(c1cc(Br)c(Br)s1)c1nc(C)cs1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is MJNFKSZCDRCKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2S2/c1-5-4-15-10(14-5)8(13-2)7-3-6(11)9(12)16-7/h3-4,8,13H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 382.15 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 102842851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).