(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C9H9BrN2OS — CID 105150606

IUPAC(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2occc2Br)cs1
InChIInChI=1S/C9H9BrN2OS/c1-5-12-7(4-14-5)8(11)9-6(10)2-3-13-9/h2-4,8H,11H2,1H3
InChIKeyFEBSXCZIPKHGKW-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.86
Rot. Bonds2

About (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105150606) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105150606
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC Name(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)c2occc2Br)cs1
InChIInChI=1S/C9H9BrN2OS/c1-5-12-7(4-14-5)8(11)9-6(10)2-3-13-9/h2-4,8H,11H2,1H3
InChIKeyFEBSXCZIPKHGKW-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115861576
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418
1-(3-bromofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 63941255
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105076919
(2-chlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105099807
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105150606) is (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)c2occc2Br)cs1.
What is the InChIKey of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is FEBSXCZIPKHGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-5-12-7(4-14-5)8(11)9-6(10)2-3-13-9/h2-4,8H,11H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 273.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105150606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).