N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

C18H21N3S — CID 68627681

IUPACN-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C(CNC2=NCCS2)c2ccncc2)c1C
InChIInChI=1S/C18H21N3S/c1-13-4-3-5-16(14(13)2)17(15-6-8-19-9-7-15)12-21-18-20-10-11-22-18/h3-9,17H,10-12H2,1-2H3,(H,20,21)
InChIKeyKGWUQIGNGPMWEJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 68627681) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID68627681
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cccc(C(CNC2=NCCS2)c2ccncc2)c1C
InChIInChI=1S/C18H21N3S/c1-13-4-3-5-16(14(13)2)17(15-6-8-19-9-7-15)12-21-18-20-10-11-22-18/h3-9,17H,10-12H2,1-2H3,(H,20,21)
InChIKeyKGWUQIGNGPMWEJ-UHFFFAOYSA-N
XLogP3.52
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 68627681) is N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cccc(C(CNC2=NCCS2)c2ccncc2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KGWUQIGNGPMWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-13-4-3-5-16(14(13)2)17(15-6-8-19-9-7-15)12-21-18-20-10-11-22-18/h3-9,17H,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 311.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenyl)-2-pyridin-4-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 68627681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).