4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine

C16H16N4S — CID 82059246

IUPAC4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1N
InChIInChI=1S/C16H16N4S/c1-2-11-3-4-13(9-14(11)17)19-16-20-15(10-21-16)12-5-7-18-8-6-12/h3-10H,2,17H2,1H3,(H,19,20)
InChIKeyPCQOECXGRNLXPD-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.09
Rot. Bonds4

About 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine

4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82059246) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82059246
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1N
InChIInChI=1S/C16H16N4S/c1-2-11-3-4-13(9-14(11)17)19-16-20-15(10-21-16)12-5-7-18-8-6-12/h3-10H,2,17H2,1H3,(H,19,20)
InChIKeyPCQOECXGRNLXPD-UHFFFAOYSA-N
XLogP4.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 93206370
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 58910606
N-methyl-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 155312775
N-(4-nitrophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 158527700
4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzoate
CID 3513785
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82059246) is 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1N.
What is the InChIKey of 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is PCQOECXGRNLXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-11-3-4-13(9-14(11)17)19-16-20-15(10-21-16)12-5-7-18-8-6-12/h3-10H,2,17H2,1H3,(H,19,20).
What are the key properties of 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 296.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82059246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).