4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C18H17F3N4S — CID 118565753

IUPAC4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C(C)C)s2)c1
InChIInChI=1S/C18H17F3N4S/c1-10(2)17-23-9-14(26-17)13-6-11(3)7-16(24-13)25-15-8-12(4-5-22-15)18(19,20)21/h4-10H,1-3H3,(H,22,24,25)
InChIKeyVIZOYCPQGLUXDN-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.79
Rot. Bonds4

About 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 118565753) has the molecular formula C18H17F3N4S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID118565753
Molecular FormulaC18H17F3N4S
Molecular Weight378.42 g/mol
Exact Mass378.11
IUPAC Name4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C(C)C)s2)c1
InChIInChI=1S/C18H17F3N4S/c1-10(2)17-23-9-14(26-17)13-6-11(3)7-16(24-13)25-15-8-12(4-5-22-15)18(19,20)21/h4-10H,1-3H3,(H,22,24,25)
InChIKeyVIZOYCPQGLUXDN-UHFFFAOYSA-N
XLogP5.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Stf-62247
CID 704473
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
Aminothiazole 8
CID 5329390
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 118565753) is 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C(C)C)s2)c1.
What is the InChIKey of 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is VIZOYCPQGLUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4S/c1-10(2)17-23-9-14(26-17)13-6-11(3)7-16(24-13)25-15-8-12(4-5-22-15)18(19,20)21/h4-10H,1-3H3,(H,22,24,25).
What are the key properties of 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 378.42 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-propan-2-yl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 118565753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).