4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

C12H9BrN2OS2 — CID 47302221

IUPAC4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1ccsc1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C12H9BrN2OS2/c13-9-3-5-17-11(9)10-7-18-12(15-10)14-6-8-2-1-4-16-8/h1-5,7H,6H2,(H,14,15)
InChIKeySEYWYOQBODQTLH-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.84
Rot. Bonds4

About 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 47302221) has the molecular formula C12H9BrN2OS2 and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID47302221
Molecular FormulaC12H9BrN2OS2
Molecular Weight341.26 g/mol
Exact Mass339.93
IUPAC Name4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1ccsc1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C12H9BrN2OS2/c13-9-3-5-17-11(9)10-7-18-12(15-10)14-6-8-2-1-4-16-8/h1-5,7H,6H2,(H,14,15)
InChIKeySEYWYOQBODQTLH-UHFFFAOYSA-N
XLogP4.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 30330546
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17473672
4-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17452911
N-(furan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 32951440
4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 79400362
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 56773667
4-(3-bromothiophen-2-yl)-2-thiophen-3-yl-1,3-thiazole
CID 47302086
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
CID 126999868
N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714289
N-(furan-2-ylmethyl)-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46531297

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (CID 47302221) is 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is Brc1ccsc1-c1csc(NCc2ccco2)n1.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SEYWYOQBODQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS2/c13-9-3-5-17-11(9)10-7-18-12(15-10)14-6-8-2-1-4-16-8/h1-5,7H,6H2,(H,14,15).
What are the key properties of 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 341.26 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 47302221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).