N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine

C17H23BrN2S — CID 66480410

IUPACN-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C17H23BrN2S/c1-5-8-19-16(13-6-7-14(18)12(4)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3
InChIKeyNGGCTBJQDAZKBV-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.43
Rot. Bonds6

About N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine

N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 66480410) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID66480410
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC NameN-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C17H23BrN2S/c1-5-8-19-16(13-6-7-14(18)12(4)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3
InChIKeyNGGCTBJQDAZKBV-UHFFFAOYSA-N
XLogP5.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 106818065
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380873
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525
N-[(4-bromo-3-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794619
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 66480410) is N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(C)c1)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is NGGCTBJQDAZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-5-8-19-16(13-6-7-14(18)12(4)9-13)17-20-15(10-21-17)11(2)3/h6-7,9-11,16,19H,5,8H2,1-4H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 367.36 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 66480410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).