N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C19H14F3N5O2S — CID 44549072

IUPACN-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4)nc3s2)cc1)C(F)(F)F
InChIInChI=1S/C19H14F3N5O2S/c1-18(29,19(20,21)22)12-4-2-10(3-5-12)15(28)27-17-26-14-7-6-13(25-16(14)30-17)11-8-23-24-9-11/h2-9,29H,1H3,(H,23,24)(H,26,27,28)
InChIKeyMBADBUFBMXHFAM-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.10
Rot. Bonds4

About N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 44549072) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID44549072
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC NameN-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4)nc3s2)cc1)C(F)(F)F
InChIInChI=1S/C19H14F3N5O2S/c1-18(29,19(20,21)22)12-4-2-10(3-5-12)15(28)27-17-26-14-7-6-13(25-16(14)30-17)11-8-23-24-9-11/h2-9,29H,1H3,(H,23,24)(H,26,27,28)
InChIKeyMBADBUFBMXHFAM-UHFFFAOYSA-N
XLogP4.10
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11649255, Example 188
CID 163221266
5-[2-Fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[[(1-methylpyrazol-3-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25126826
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-[5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]benzamide
CID 44548777
4-(2-hydroxypropan-2-yl)-N-(5-(3-(trifluoromethyl)-1H-pyrazol-4-yl)thiazolo[5,4-b]pyridin-2-yl)benzamide
CID 44548925
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)thiophene-3-carboxamide
CID 44554972
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-(1H-pyrrolo[3,2-b]pyridin-5-ylamino)thiophene-3-carboxamide
CID 44554973
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{1,1-dimethyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 59525723
5-[2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-(1H-pyrazol-4-yl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525726
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-{[6-methyl-5-(1H-1,2,3-triazol-4-yl)pyridin-2-yl]amino}thiophene-3-carboxamide
CID 59525807
5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-[(6-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}pyridin-2-yl)amino]thiophene-3-carboxamide
CID 59525835
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525839
5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(triazol-2-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525862

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 44549072) is N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)Nc2nc3ccc(-c4cn[nH]c4)nc3s2)cc1)C(F)(F)F.
What is the InChIKey of N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is MBADBUFBMXHFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-18(29,19(20,21)22)12-4-2-10(3-5-12)15(28)27-17-26-14-7-6-13(25-16(14)30-17)11-8-23-24-9-11/h2-9,29H,1H3,(H,23,24)(H,26,27,28).
What are the key properties of N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 433.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 44549072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).