1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

C16H22BrN3S — CID 63837367

IUPAC1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1scnc1C)c1ccccc1Br
InChIInChI=1S/C16H22BrN3S/c1-12-16(21-11-19-12)10-20(3)9-8-15(18-2)13-6-4-5-7-14(13)17/h4-7,11,15,18H,8-10H2,1-3H3
InChIKeyPHBGLEZRQJDTJX-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.00
Rot. Bonds7

About 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine

1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 63837367) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID63837367
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)Cc1scnc1C)c1ccccc1Br
InChIInChI=1S/C16H22BrN3S/c1-12-16(21-11-19-12)10-20(3)9-8-15(18-2)13-6-4-5-7-14(13)17/h4-7,11,15,18H,8-10H2,1-3H3
InChIKeyPHBGLEZRQJDTJX-UHFFFAOYSA-N
XLogP4.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

1-(2-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55259223
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63866126
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55256951
2-(2-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79454525
N-(2-aminophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 63842600
1-(2-bromophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713061
1-(2-bromophenyl)-N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 63495491

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine (CID 63837367) is 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is CNC(CCN(C)Cc1scnc1C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is PHBGLEZRQJDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-12-16(21-11-19-12)10-20(3)9-8-15(18-2)13-6-4-5-7-14(13)17/h4-7,11,15,18H,8-10H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine?
1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 368.34 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,N'-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63837367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).