N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

C19H16N4S — CID 108774081

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C19H16N4S/c1-12-9-13(2)21-18(20-12)23-19-22-17(11-24-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyAAHYIEPAIOWYOB-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.11
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 108774081) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID108774081
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccc4ccccc4c3)cs2)n1
InChIInChI=1S/C19H16N4S/c1-12-9-13(2)21-18(20-12)23-19-22-17(11-24-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyAAHYIEPAIOWYOB-UHFFFAOYSA-N
XLogP5.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
1-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58911003
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774105
2-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 18291417
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 108774081) is N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is Cc1cc(C)nc(Nc2nc(-c3ccc4ccccc4c3)cs2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is AAHYIEPAIOWYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-12-9-13(2)21-18(20-12)23-19-22-17(11-24-19)16-8-7-14-5-3-4-6-15(14)10-16/h3-11H,1-2H3,(H,20,21,22,23).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 332.43 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108774081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).