N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine

C19H28N2S — CID 139744682

IUPACN-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCCCCC(CNc1ncc(C)s1)c1c(C)cccc1C
InChIInChI=1S/C19H28N2S/c1-5-6-7-11-17(13-21-19-20-12-16(4)22-19)18-14(2)9-8-10-15(18)3/h8-10,12,17H,5-7,11,13H2,1-4H3,(H,20,21)
InChIKeyCGDMXDPIYKNLKT-UHFFFAOYSA-N
MW316.51 g/mol
LogP5.84
Rot. Bonds8

About N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine

N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 139744682) has the molecular formula C19H28N2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID139744682
Molecular FormulaC19H28N2S
Molecular Weight316.51 g/mol
Exact Mass316.20
IUPAC NameN-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine
SMILESCCCCCC(CNc1ncc(C)s1)c1c(C)cccc1C
InChIInChI=1S/C19H28N2S/c1-5-6-7-11-17(13-21-19-20-12-16(4)22-19)18-14(2)9-8-10-15(18)3/h8-10,12,17H,5-7,11,13H2,1-4H3,(H,20,21)
InChIKeyCGDMXDPIYKNLKT-UHFFFAOYSA-N
XLogP5.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-2-octan-3-ylbenzene
CID 144744268
N-[2-(2-hexylphenyl)ethyl]-5-methyl-1,3-thiazol-2-amine
CID 139744786
5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 83291327
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
hexane;1,2,3-trimethylbenzene
CID 159405289
N-(methoxymethyl)-5-methyl-1,3-thiazol-2-amine
CID 59059026
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
5-methyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,3-thiazol-2-amine
CID 75521940
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;hydrochloride
CID 141094880

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine (CID 139744682) is N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine is CCCCCC(CNc1ncc(C)s1)c1c(C)cccc1C.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is CGDMXDPIYKNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2S/c1-5-6-7-11-17(13-21-19-20-12-16(4)22-19)18-14(2)9-8-10-15(18)3/h8-10,12,17H,5-7,11,13H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine?
N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 316.51 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)heptyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139744682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).