2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C14H16BrN3OS — CID 66377238

IUPAC2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1csc(CN)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-14(2,9-3-5-10(15)6-4-9)18-13(19)11-8-20-12(7-16)17-11/h3-6,8H,7,16H2,1-2H3,(H,18,19)
InChIKeyFBHNVOUSKXGUIB-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.03
Rot. Bonds4

About 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 66377238) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID66377238
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1csc(CN)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-14(2,9-3-5-10(15)6-4-9)18-13(19)11-8-20-12(7-16)17-11/h3-6,8H,7,16H2,1-2H3,(H,18,19)
InChIKeyFBHNVOUSKXGUIB-UHFFFAOYSA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(4-bromophenyl)ethanone
CID 116585220
2-(aminomethyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376863
2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119763063
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 66377238) is 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)(NC(=O)c1csc(CN)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FBHNVOUSKXGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-14(2,9-3-5-10(15)6-4-9)18-13(19)11-8-20-12(7-16)17-11/h3-6,8H,7,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).