2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

C19H16F3N5O3S — CID 166792541

IUPAC2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16F3N5O3S/c1-10(17(24)29)27(12-7-8-13(25-9-12)30-19(20,21)22)18-26-16(23)15(31-18)14(28)11-5-3-2-4-6-11/h2-10H,23H2,1H3,(H2,24,29)
InChIKeyCAZNQUXOHIEREI-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.26
Rot. Bonds7

About 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide

2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792541) has the molecular formula C19H16F3N5O3S and a molecular weight of 451.43 g/mol. Its IUPAC name is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
PubChem CID166792541
Molecular FormulaC19H16F3N5O3S
Molecular Weight451.43 g/mol
Exact Mass451.09
IUPAC Name2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16F3N5O3S/c1-10(17(24)29)27(12-7-8-13(25-9-12)30-19(20,21)22)18-26-16(23)15(31-18)14(28)11-5-3-2-4-6-11/h2-10H,23H2,1H3,(H2,24,29)
InChIKeyCAZNQUXOHIEREI-UHFFFAOYSA-N
XLogP3.26
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792541) is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)(F)F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is CAZNQUXOHIEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S/c1-10(17(24)29)27(12-7-8-13(25-9-12)30-19(20,21)22)18-26-16(23)15(31-18)14(28)11-5-3-2-4-6-11/h2-10H,23H2,1H3,(H2,24,29).
What are the key properties of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide?
2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 451.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(trifluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).