N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C18H22BrN3O2S — CID 18155141

IUPACN-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1sc(NC(=O)CCNC(=O)C(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2S/c1-11-15(12-5-7-13(19)8-6-12)22-17(25-11)21-14(23)9-10-20-16(24)18(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyQROYCXPMHQFNMJ-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.37
Rot. Bonds5

About N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18155141) has the molecular formula C18H22BrN3O2S and a molecular weight of 424.36 g/mol. Its IUPAC name is N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18155141
Molecular FormulaC18H22BrN3O2S
Molecular Weight424.36 g/mol
Exact Mass423.06
IUPAC NameN-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCc1sc(NC(=O)CCNC(=O)C(C)(C)C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN3O2S/c1-11-15(12-5-7-13(19)8-6-12)22-17(25-11)21-14(23)9-10-20-16(24)18(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyQROYCXPMHQFNMJ-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
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-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 112809648
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 6464387
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
CID 3493678
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18205401

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 18155141) is N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is Cc1sc(NC(=O)CCNC(=O)C(C)(C)C)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is QROYCXPMHQFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2S/c1-11-15(12-5-7-13(19)8-6-12)22-17(25-11)21-14(23)9-10-20-16(24)18(2,3)4/h5-8H,9-10H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 424.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18155141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).