2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide

C15H18BrN3O2S — CID 120636229

IUPAC2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CCN)n1)Oc1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2S/c1-10(21-12-4-2-3-11(16)7-12)8-18-15(20)13-9-22-14(19-13)5-6-17/h2-4,7,9-10H,5-6,8,17H2,1H3,(H,18,20)
InChIKeyDASSNWDXSYORAG-UHFFFAOYSA-N
MW384.30 g/mol
LogP2.60
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120636229) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
PubChem CID120636229
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(CCN)n1)Oc1cccc(Br)c1
InChIInChI=1S/C15H18BrN3O2S/c1-10(21-12-4-2-3-11(16)7-12)8-18-15(20)13-9-22-14(19-13)5-6-17/h2-4,7,9-10H,5-6,8,17H2,1H3,(H,18,20)
InChIKeyDASSNWDXSYORAG-UHFFFAOYSA-N
XLogP2.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(3-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636617
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
CID 96568538
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630215
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120639941
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81073673
2-(2-aminoethyl)-N-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623855
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
2-[[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475581

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide (CID 120636229) is 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(CCN)n1)Oc1cccc(Br)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DASSNWDXSYORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-10(21-12-4-2-3-11(16)7-12)8-18-15(20)13-9-22-14(19-13)5-6-17/h2-4,7,9-10H,5-6,8,17H2,1H3,(H,18,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120636229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).