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

C15H21N3S — CID 60777946

IUPACN',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCc1ncc(CNC(CN(C)C)c2ccccc2)s1
InChIInChI=1S/C15H21N3S/c1-12-16-9-14(19-12)10-17-15(11-18(2)3)13-7-5-4-6-8-13/h4-9,15,17H,10-11H2,1-3H3
InChIKeyYTMAZOVYDMDKPP-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.84
Rot. Bonds6

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

N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine (PubChem CID 60777946) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
PubChem CID60777946
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
SMILESCc1ncc(CNC(CN(C)C)c2ccccc2)s1
InChIInChI=1S/C15H21N3S/c1-12-16-9-14(19-12)10-17-15(11-18(2)3)13-7-5-4-6-8-13/h4-9,15,17H,10-11H2,1-3H3
InChIKeyYTMAZOVYDMDKPP-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 125141739
2-(4-ethylphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 109380344
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
(2R)-2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2-phenylethanol
CID 103766281
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
CID 103617029
N-[(2-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43181795
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
CID 84600935
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61282963
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine (CID 60777946) is N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine is Cc1ncc(CNC(CN(C)C)c2ccccc2)s1.
What is the InChIKey of N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
The InChIKey is YTMAZOVYDMDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-16-9-14(19-12)10-17-15(11-18(2)3)13-7-5-4-6-8-13/h4-9,15,17H,10-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine?
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine is sourced from PubChem (CID 60777946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).