2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide

C13H14BrN3OS — CID 62787341

IUPAC2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(N)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-2-10(8-3-5-9(14)6-4-8)16-12(18)11-7-19-13(15)17-11/h3-7,10H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyUXGBKKGQSKSNSG-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.37
Rot. Bonds4

About 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide

2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787341) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID62787341
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(N)n1)c1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-2-10(8-3-5-9(14)6-4-8)16-12(18)11-7-19-13(15)17-11/h3-7,10H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyUXGBKKGQSKSNSG-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
CID 106550859
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
CID 43022770
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide (CID 62787341) is 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(N)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UXGBKKGQSKSNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-2-10(8-3-5-9(14)6-4-8)16-12(18)11-7-19-13(15)17-11/h3-7,10H,2H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).