5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C17H26N2S — CID 107154151

IUPAC5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(C(C)NC2=NCC(CC(C)(C)C)S2)cc1
InChIInChI=1S/C17H26N2S/c1-12-6-8-14(9-7-12)13(2)19-16-18-11-15(20-16)10-17(3,4)5/h6-9,13,15H,10-11H2,1-5H3,(H,18,19)
InChIKeyAASHXXRPFVCYSR-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.55
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154151) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154151
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(C(C)NC2=NCC(CC(C)(C)C)S2)cc1
InChIInChI=1S/C17H26N2S/c1-12-6-8-14(9-7-12)13(2)19-16-18-11-15(20-16)10-17(3,4)5/h6-9,13,15H,10-11H2,1-5H3,(H,18,19)
InChIKeyAASHXXRPFVCYSR-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154151) is 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(C(C)NC2=NCC(CC(C)(C)C)S2)cc1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AASHXXRPFVCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-12-6-8-14(9-7-12)13(2)19-16-18-11-15(20-16)10-17(3,4)5/h6-9,13,15H,10-11H2,1-5H3,(H,18,19).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 290.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).