(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine

C8H7BrN2S2 — CID 61347211

IUPAC(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1nccs1
InChIInChI=1S/C8H7BrN2S2/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2
InChIKeyBSVGTBZBHONZFB-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.02
Rot. Bonds2

About (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine

(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 61347211) has the molecular formula C8H7BrN2S2 and a molecular weight of 275.20 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID61347211
Molecular FormulaC8H7BrN2S2
Molecular Weight275.20 g/mol
Exact Mass273.92
IUPAC Name(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)c1nccs1
InChIInChI=1S/C8H7BrN2S2/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2
InChIKeyBSVGTBZBHONZFB-UHFFFAOYSA-N
XLogP3.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398
(5-bromothiophen-2-yl)-(1H-imidazol-2-yl)methanamine
CID 116835147
(5-bromothiophen-2-yl)-thiophen-3-ylmethanamine
CID 61102813
2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 18791073
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
1,3-thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63077873
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(2-bromophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104167
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
(4-propoxyphenyl)-(1,3-thiazol-2-yl)methanamine
CID 62496797
quinolin-6-yl(1,3-thiazol-2-yl)methanamine
CID 63970380

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine (CID 61347211) is (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine is NC(c1ccc(Br)s1)c1nccs1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is BSVGTBZBHONZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S2/c9-6-2-1-5(13-6)7(10)8-11-3-4-12-8/h1-4,7H,10H2.
What are the key properties of (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine?
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 275.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61347211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).