N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C24H24N2O3S — CID 71456051

IUPACN,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N(C)C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O3S/c1-26(2)24-25-21(18-13-19(27-3)22(29-5)20(14-18)28-4)23(30-24)17-11-10-15-8-6-7-9-16(15)12-17/h6-14H,1-5H3
InChIKeyLTCMKLRCZPZNOV-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.72
Rot. Bonds6

About N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 71456051) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID71456051
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N(C)C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C24H24N2O3S/c1-26(2)24-25-21(18-13-19(27-3)22(29-5)20(14-18)28-4)23(30-24)17-11-10-15-8-6-7-9-16(15)12-17/h6-14H,1-5H3
InChIKeyLTCMKLRCZPZNOV-UHFFFAOYSA-N
XLogP5.72
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 141261492
2-ethyl-5-(2-naphthalen-2-ylphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 122213514
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-[5-(3-fluoro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 53388369
2-[5-(1-benzothiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 53388199
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
[2-bromo-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867508
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892
2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 71456051) is N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2nc(N(C)C)sc2-c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is LTCMKLRCZPZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-26(2)24-25-21(18-13-19(27-3)22(29-5)20(14-18)28-4)23(30-24)17-11-10-15-8-6-7-9-16(15)12-17/h6-14H,1-5H3.
What are the key properties of N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 420.53 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71456051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).