N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C15H13N3S2 — CID 58910606

IUPACN-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H13N3S2/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18)
InChIKeyKIBRQIUZUNTUAU-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.67
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 58910606) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID58910606
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC NameN-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H13N3S2/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18)
InChIKeyKIBRQIUZUNTUAU-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 122184011
4-bromo-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 79399128
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
tris[3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl] phosphate
CID 87639294
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965
4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059246
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183985

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 58910606) is N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is KIBRQIUZUNTUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-19-13-4-2-3-12(9-13)17-15-18-14(10-20-15)11-5-7-16-8-6-11/h2-10H,1H3,(H,17,18).
What are the key properties of N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 299.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58910606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).