5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

C19H18F3N5O3S — CID 58155171

IUPAC5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ncsc1Nc1cc(Nc2cc(OC)ccc2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H18F3N5O3S/c1-23-17(28)16-18(31-9-25-16)27-12-7-15(24-8-11(12)19(20,21)22)26-13-6-10(29-2)4-5-14(13)30-3/h4-9H,1-3H3,(H,23,28)(H2,24,26,27)
InChIKeyXSRHNHWUKKDQSX-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.42
Rot. Bonds7

About 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide

5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 58155171) has the molecular formula C19H18F3N5O3S and a molecular weight of 453.45 g/mol. Its IUPAC name is 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID58155171
Molecular FormulaC19H18F3N5O3S
Molecular Weight453.45 g/mol
Exact Mass453.11
IUPAC Name5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1ncsc1Nc1cc(Nc2cc(OC)ccc2OC)ncc1C(F)(F)F
InChIInChI=1S/C19H18F3N5O3S/c1-23-17(28)16-18(31-9-25-16)27-12-7-15(24-8-11(12)19(20,21)22)26-13-6-10(29-2)4-5-14(13)30-3/h4-9H,1-3H3,(H,23,28)(H2,24,26,27)
InChIKeyXSRHNHWUKKDQSX-UHFFFAOYSA-N
XLogP4.42
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

13-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287286
CID 155287641
CID 155287641
13-[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-2-methoxyanilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721812
13-[2-Methoxy-4-(4-methyl-2-oxopiperazin-1-yl)anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721825
13-(2-Methoxy-4-piperazin-1-ylanilino)-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155721845
13-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 162515948
13-[2-Methoxy-5-methyl-4-(4-methylpiperazin-1-yl)anilino]-2,5,9-trimethyl-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 162515953
13-[2-Methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5,9-dimethyl-2-(2,2,2-trifluoroethyl)-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 162515955
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 51002931
US9617282, Example 13
CID 86300976
2-((4-(difluoromethoxy)phenyl)amino)-N-(pyridin-3-ylmethyl)thiazole-4-carboxamide
CID 30860192
2-(2-((2,5-Dimethoxyphenyl)amino)thiazol-4-yl)-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethanone
CID 30860002

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide (CID 58155171) is 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1ncsc1Nc1cc(Nc2cc(OC)ccc2OC)ncc1C(F)(F)F.
What is the InChIKey of 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is XSRHNHWUKKDQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S/c1-23-17(28)16-18(31-9-25-16)27-12-7-15(24-8-11(12)19(20,21)22)26-13-6-10(29-2)4-5-14(13)30-3/h4-9H,1-3H3,(H,23,28)(H2,24,26,27).
What are the key properties of 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide?
5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,5-dimethoxyanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58155171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).