N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide

C14H14BrN3O2S — CID 71946726

IUPACN-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrN3O2S/c1-9-8-21-14(16-9)18-13(20)7-6-12(19)17-11-4-2-10(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyUVTNMBPYPRMFKW-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.57
Rot. Bonds5

About N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide

N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide (PubChem CID 71946726) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
PubChem CID71946726
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC NameN-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1csc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrN3O2S/c1-9-8-21-14(16-9)18-13(20)7-6-12(19)17-11-4-2-10(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyUVTNMBPYPRMFKW-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7326262
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
1-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 36600011
4-[4-[1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22785094
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
3,3-dimethyl-N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
CID 19629334

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide (CID 71946726) is N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide is Cc1csc(NC(=O)CCC(=O)Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide?
The InChIKey is UVTNMBPYPRMFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-9-8-21-14(16-9)18-13(20)7-6-12(19)17-11-4-2-10(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide?
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide has a molecular weight of 368.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 71946726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).