2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide

C19H16F3N5O3S — CID 166792789

IUPAC2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C19H16F3N5O3S/c1-9(17(24)29)27(11-2-3-13(12(20)8-11)30-18(21)22)19-26-16(23)15(31-19)14(28)10-4-6-25-7-5-10/h2-9,18H,23H2,1H3,(H2,24,29)
InChIKeyXWSMVTOMGPLVJL-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.10
Rot. Bonds8

About 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide

2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide (PubChem CID 166792789) has the molecular formula C19H16F3N5O3S and a molecular weight of 451.43 g/mol. Its IUPAC name is 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide.

Molecular Properties

Compound Name2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
PubChem CID166792789
Molecular FormulaC19H16F3N5O3S
Molecular Weight451.43 g/mol
Exact Mass451.09
IUPAC Name2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1
InChIInChI=1S/C19H16F3N5O3S/c1-9(17(24)29)27(11-2-3-13(12(20)8-11)30-18(21)22)19-26-16(23)15(31-19)14(28)10-4-6-25-7-5-10/h2-9,18H,23H2,1H3,(H2,24,29)
InChIKeyXWSMVTOMGPLVJL-UHFFFAOYSA-N
XLogP3.10
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11167126
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11307354
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11341113
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11431508
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(2-methoxyphenyl)methanone
CID 18521811
(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(thiazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89907395
2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 2307725
2-{[6-(acetylamino)-3-pyridinyl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]nicotinamide
CID 4358441
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(4-methoxyphenyl)methanone
CID 54580334
(4-Amino-2-(pyridin-3-ylamino)thiazol-5-yl)(3-methoxyphenyl)methanone
CID 54583342
(4-Amino-2-(pyridin-4-ylamino)thiazol-5-yl)(3-methoxyphenyl)methanone
CID 54587239
N-[4-methoxy-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533619

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The IUPAC name of 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide (CID 166792789) is 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide.
What is the SMILES notation for 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The canonical SMILES for 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccncc2)s1.
What is the InChIKey of 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The InChIKey is XWSMVTOMGPLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S/c1-9(17(24)29)27(11-2-3-13(12(20)8-11)30-18(21)22)19-26-16(23)15(31-19)14(28)10-4-6-25-7-5-10/h2-9,18H,23H2,1H3,(H2,24,29).
What are the key properties of 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide has a molecular weight of 451.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide is sourced from PubChem (CID 166792789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).