N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C19H18F3N7OS — CID 86275398

IUPACN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C19H18F3N7OS/c1-4-29-16(7-15(27-29)19(20,21)22)26-18-25-13(9-31-18)12-5-6-14(17(24-12)30-3)28-8-11(2)23-10-28/h5-10H,4H2,1-3H3,(H,25,26)
InChIKeyUNFVPHNQVGXPKU-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.69
Rot. Bonds6

About N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine

N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 86275398) has the molecular formula C19H18F3N7OS and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID86275398
Molecular FormulaC19H18F3N7OS
Molecular Weight449.46 g/mol
Exact Mass449.12
IUPAC NameN-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1
InChIInChI=1S/C19H18F3N7OS/c1-4-29-16(7-15(27-29)19(20,21)22)26-18-25-13(9-31-18)12-5-6-14(17(24-12)30-3)28-8-11(2)23-10-28/h5-10H,4H2,1-3H3,(H,25,26)
InChIKeyUNFVPHNQVGXPKU-UHFFFAOYSA-N
XLogP4.69
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 86275398) is N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is CCn1nc(C(F)(F)F)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cs1.
What is the InChIKey of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is UNFVPHNQVGXPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7OS/c1-4-29-16(7-15(27-29)19(20,21)22)26-18-25-13(9-31-18)12-5-6-14(17(24-12)30-3)28-8-11(2)23-10-28/h5-10H,4H2,1-3H3,(H,25,26).
What are the key properties of N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 449.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86275398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).