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

C12H12BrN3OS — CID 81360148

IUPAC2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(N)n1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17)/t7-/m1/s1
InChIKeyINCXCUQGKYBUAU-SSDOTTSWSA-N
MW326.22 g/mol
LogP2.98
Rot. Bonds3

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

2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 81360148) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID81360148
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1csc(N)n1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17)/t7-/m1/s1
InChIKeyINCXCUQGKYBUAU-SSDOTTSWSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787001
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81359186
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 81360148) is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide is C[C@@H](NC(=O)c1csc(N)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is INCXCUQGKYBUAU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17)/t7-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81360148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).