2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C13H14BrN3OS — CID 55115157

IUPAC2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3OS/c1-7(9-4-3-5-10(14)6-9)16-12(18)11-8(2)17-13(15)19-11/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUSZXDNQJGDLREY-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.29
Rot. Bonds3

About 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55115157) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55115157
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(C)c1cccc(Br)c1
InChIInChI=1S/C13H14BrN3OS/c1-7(9-4-3-5-10(14)6-9)16-12(18)11-8(2)17-13(15)19-11/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUSZXDNQJGDLREY-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095
2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 62793747
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
2-amino-N-[1-(3-chlorophenyl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792897
N-[1-(3-bromophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54896629
N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
CID 62237380
N-[1-(3-bromophenyl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55599574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55115157) is 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC(C)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is USZXDNQJGDLREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-7(9-4-3-5-10(14)6-9)16-12(18)11-8(2)17-13(15)19-11/h3-7H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-bromophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55115157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).