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

C16H15BrN4O2S — CID 112809648

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1
InChIInChI=1S/C16H15BrN4O2S/c1-9-15(11-3-5-12(17)6-4-11)20-16(24-9)19-13(22)7-8-14-18-10(2)21-23-14/h3-6H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyVBTUFGZNLYKZJB-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.14
Rot. Bonds5

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

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 112809648) has the molecular formula C16H15BrN4O2S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID112809648
Molecular FormulaC16H15BrN4O2S
Molecular Weight407.29 g/mol
Exact Mass406.01
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1noc(CCC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1
InChIInChI=1S/C16H15BrN4O2S/c1-9-15(11-3-5-12(17)6-4-11)20-16(24-9)19-13(22)7-8-14-18-10(2)21-23-14/h3-6H,7-8H2,1-2H3,(H,19,20,22)
InChIKeyVBTUFGZNLYKZJB-UHFFFAOYSA-N
XLogP4.14
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012645
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18205401
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide (CID 112809648) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is Cc1noc(CCC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VBTUFGZNLYKZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2S/c1-9-15(11-3-5-12(17)6-4-11)20-16(24-9)19-13(22)7-8-14-18-10(2)21-23-14/h3-6H,7-8H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 407.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 112809648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).