1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one

C15H17BrN2OS — CID 63836612

IUPAC1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
SMILESCc1ncsc1CN(C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2OS/c1-10-14(20-9-17-10)8-18(3)11(2)15(19)12-4-6-13(16)7-5-12/h4-7,9,11H,8H2,1-3H3
InChIKeyBUXVJWIBVKLOGG-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.92
Rot. Bonds5

About 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one

1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one (PubChem CID 63836612) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
PubChem CID63836612
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
SMILESCc1ncsc1CN(C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2OS/c1-10-14(20-9-17-10)8-18(3)11(2)15(19)12-4-6-13(16)7-5-12/h4-7,9,11H,8H2,1-3H3
InChIKeyBUXVJWIBVKLOGG-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63838727
1-(4-bromophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62031358
1-(2,5-dimethylphenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one
CID 63837669
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanehydrazide
CID 63840300
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050757
1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 114065834
1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one (CID 63836612) is 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one is Cc1ncsc1CN(C)C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
The InChIKey is BUXVJWIBVKLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-10-14(20-9-17-10)8-18(3)11(2)15(19)12-4-6-13(16)7-5-12/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one?
1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one has a molecular weight of 353.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 63836612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).