5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine

C18H17F3N4OS — CID 143265469

IUPAC5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
SMILESCc1ccccc1Oc1ncc(N(C)C)cc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H17F3N4OS/c1-11-6-4-5-7-14(11)26-16-13(8-12(9-22-16)25(2)3)23-17-24-15(10-27-17)18(19,20)21/h4-10H,1-3H3,(H,23,24)
InChIKeyPFTXPTVJZZZJEI-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.47
Rot. Bonds5

About 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine

5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine (PubChem CID 143265469) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
PubChem CID143265469
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
SMILESCc1ccccc1Oc1ncc(N(C)C)cc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H17F3N4OS/c1-11-6-4-5-7-14(11)26-16-13(8-12(9-22-16)25(2)3)23-17-24-15(10-27-17)18(19,20)21/h4-10H,1-3H3,(H,23,24)
InChIKeyPFTXPTVJZZZJEI-UHFFFAOYSA-N
XLogP5.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143265581
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 175598206
N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128894
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858
2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 59128898
N-[2-(2-tert-butylphenoxy)thiophen-3-yl]-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
CID 59128780
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
2-(3-methyl-2-nitrophenoxy)-4-(trifluoromethyl)-1,3-thiazole
CID 133391398
N-[3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]formamide
CID 171782810
3-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 59129074
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796
3-(3,4-dimethylphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78863563

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine?
The IUPAC name of 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine (CID 143265469) is 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine is Cc1ccccc1Oc1ncc(N(C)C)cc1Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine?
The InChIKey is PFTXPTVJZZZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-11-6-4-5-7-14(11)26-16-13(8-12(9-22-16)25(2)3)23-17-24-15(10-27-17)18(19,20)21/h4-10H,1-3H3,(H,23,24).
What are the key properties of 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine?
5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine has a molecular weight of 394.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine is sourced from PubChem (CID 143265469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).