3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C13H13BrN2OS2 — CID 47366040

IUPAC3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCSc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2OS2/c1-9-8-15-13(19-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyRCDONNPJVNLBPQ-UHFFFAOYSA-N
MW357.30 g/mol
LogP4.33
Rot. Bonds5

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

3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 47366040) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID47366040
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC Name3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCSc2ccc(Br)cc2)s1
InChIInChI=1S/C13H13BrN2OS2/c1-9-8-15-13(19-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyRCDONNPJVNLBPQ-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2192859
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
2-(2,4-dibromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 17477090
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 47366040) is 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCSc2ccc(Br)cc2)s1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RCDONNPJVNLBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS2/c1-9-8-15-13(19-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 357.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47366040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).