5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine

C15H23N5S — CID 125438511

IUPAC5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCc1cccc([C@H](CNc2nc(N(C)C)ns2)N(C)C)c1
InChIInChI=1S/C15H23N5S/c1-11-7-6-8-12(9-11)13(19(2)3)10-16-15-17-14(18-21-15)20(4)5/h6-9,13H,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1
InChIKeyJYAQGLFUAZNMAX-ZDUSSCGKSA-N
MW305.45 g/mol
LogP2.63
Rot. Bonds6

About 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine

5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 125438511) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID125438511
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
SMILESCc1cccc([C@H](CNc2nc(N(C)C)ns2)N(C)C)c1
InChIInChI=1S/C15H23N5S/c1-11-7-6-8-12(9-11)13(19(2)3)10-16-15-17-14(18-21-15)20(4)5/h6-9,13H,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1
InChIKeyJYAQGLFUAZNMAX-ZDUSSCGKSA-N
XLogP2.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479867
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
CID 65268088
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 86893107
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-[2-(hydroxymethyl)benzimidazol-1-yl]propanamide
CID 74249134
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine (CID 125438511) is 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine is Cc1cccc([C@H](CNc2nc(N(C)C)ns2)N(C)C)c1.
What is the InChIKey of 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is JYAQGLFUAZNMAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11-7-6-8-12(9-11)13(19(2)3)10-16-15-17-14(18-21-15)20(4)5/h6-9,13H,10H2,1-5H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine?
5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 125438511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).