5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine

C13H17N3S — CID 103359177

IUPAC5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(C(C)Nc2cc(N)ns2)cc1
InChIInChI=1S/C13H17N3S/c1-3-10-4-6-11(7-5-10)9(2)15-13-8-12(14)16-17-13/h4-9,15H,3H2,1-2H3,(H2,14,16)
InChIKeyCAHWZFSLSJZYCZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.46
Rot. Bonds4

About 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359177) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103359177
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(C(C)Nc2cc(N)ns2)cc1
InChIInChI=1S/C13H17N3S/c1-3-10-4-6-11(7-5-10)9(2)15-13-8-12(14)16-17-13/h4-9,15H,3H2,1-2H3,(H2,14,16)
InChIKeyCAHWZFSLSJZYCZ-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359303
5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378214
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoroaniline
CID 43108323
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
4-ethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43195541
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethoxyaniline
CID 43106299
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
6-bromo-2-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193537

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103359177) is 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine is CCc1ccc(C(C)Nc2cc(N)ns2)cc1.
What is the InChIKey of 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is CAHWZFSLSJZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-10-4-6-11(7-5-10)9(2)15-13-8-12(14)16-17-13/h4-9,15H,3H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).