2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide

C12H10Br3N3OS — CID 66374781

IUPAC2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2c(Br)cc(Br)cc2Br)cs1
InChIInChI=1S/C12H10Br3N3OS/c1-5(16)12-17-9(4-20-12)11(19)18-10-7(14)2-6(13)3-8(10)15/h2-5H,16H2,1H3,(H,18,19)
InChIKeyBTKXHJIVXCRDSU-UHFFFAOYSA-N
MW484.01 g/mol
LogP4.70
Rot. Bonds3

About 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66374781) has the molecular formula C12H10Br3N3OS and a molecular weight of 484.01 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66374781
Molecular FormulaC12H10Br3N3OS
Molecular Weight484.01 g/mol
Exact Mass480.81
IUPAC Name2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2c(Br)cc(Br)cc2Br)cs1
InChIInChI=1S/C12H10Br3N3OS/c1-5(16)12-17-9(4-20-12)11(19)18-10-7(14)2-6(13)3-8(10)15/h2-5H,16H2,1H3,(H,18,19)
InChIKeyBTKXHJIVXCRDSU-UHFFFAOYSA-N
XLogP4.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.01
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-amino-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 62786642
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374394
2-(1-aminoethyl)-N-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66388427
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199792
2-(1-aminoethyl)-N-(2-bromo-4-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66388871
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide (CID 66374781) is 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2c(Br)cc(Br)cc2Br)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BTKXHJIVXCRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N3OS/c1-5(16)12-17-9(4-20-12)11(19)18-10-7(14)2-6(13)3-8(10)15/h2-5H,16H2,1H3,(H,18,19).
What are the key properties of 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 484.01 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).