2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine

C10H11BrN2S2 — CID 116888095

IUPAC2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN2S2/c1-10(2,12)7-5-14-9(13-7)6-3-4-8(11)15-6/h3-5H,12H2,1-2H3
InChIKeyGYJAPLVITUICFG-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.83
Rot. Bonds2

About 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 116888095) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID116888095
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC Name2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(-c2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN2S2/c1-10(2,12)7-5-14-9(13-7)6-3-4-8(11)15-6/h3-5H,12H2,1-2H3
InChIKeyGYJAPLVITUICFG-UHFFFAOYSA-N
XLogP3.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884511
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
2-amino-1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanol
CID 116890681
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515973
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119655809
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888092
3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485307
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61282037

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine (CID 116888095) is 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine is CC(C)(N)c1csc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is GYJAPLVITUICFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-10(2,12)7-5-14-9(13-7)6-3-4-8(11)15-6/h3-5H,12H2,1-2H3.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 303.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 116888095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).