(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine

C10H9BrClNS2 — CID 80530952

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H9BrClNS2/c1-5-3-14-4-6(5)9(13)8-2-7(12)10(11)15-8/h2-4,9H,13H2,1H3
InChIKeyKKDUEJDHTYNBGS-UHFFFAOYSA-N
MW322.68 g/mol
LogP4.58
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine

(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine (PubChem CID 80530952) has the molecular formula C10H9BrClNS2 and a molecular weight of 322.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
PubChem CID80530952
Molecular FormulaC10H9BrClNS2
Molecular Weight322.68 g/mol
Exact Mass320.90
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1C(N)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H9BrClNS2/c1-5-3-14-4-6(5)9(13)8-2-7(12)10(11)15-8/h2-4,9H,13H2,1H3
InChIKeyKKDUEJDHTYNBGS-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,4-dimethylphenyl)methanamine
CID 80530680
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808
(4-methylthiophen-3-yl)-(5-methylthiophen-2-yl)methanamine
CID 79802346
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethoxyphenyl)methanamine
CID 80530686
(4-bromo-5-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102834978

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine (CID 80530952) is (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine is Cc1cscc1C(N)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine?
The InChIKey is KKDUEJDHTYNBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNS2/c1-5-3-14-4-6(5)9(13)8-2-7(12)10(11)15-8/h2-4,9H,13H2,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine?
(5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine has a molecular weight of 322.68 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 80530952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).