N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide

C16H20BrN3OS — CID 166226064

IUPACN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C16H20BrN3OS/c1-11(2)18-8-7-15(21)20-16-19-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20,21)
InChIKeyLANKQJCXXLCPOR-UHFFFAOYSA-N
MW382.33 g/mol
LogP3.82
Rot. Bonds7

About N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 166226064) has the molecular formula C16H20BrN3OS and a molecular weight of 382.33 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID166226064
Molecular FormulaC16H20BrN3OS
Molecular Weight382.33 g/mol
Exact Mass381.05
IUPAC NameN-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C16H20BrN3OS/c1-11(2)18-8-7-15(21)20-16-19-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20,21)
InChIKeyLANKQJCXXLCPOR-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24608795
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23992686
3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 24598681
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
4-amino-N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119295773

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide (CID 166226064) is N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide?
The InChIKey is LANKQJCXXLCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3OS/c1-11(2)18-8-7-15(21)20-16-19-10-14(22-16)9-12-3-5-13(17)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide?
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide has a molecular weight of 382.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 166226064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).