4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

C22H14F6N6O2S — CID 175673020

IUPAC4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnc(Nc3ccc(OC(F)(F)F)cc3)nc2C(F)(F)F)sc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H14F6N6O2S/c1-11-16(18(35)32-13-3-2-8-29-9-13)37-19(31-11)15-10-30-20(34-17(15)21(23,24)25)33-12-4-6-14(7-5-12)36-22(26,27)28/h2-10H,1H3,(H,32,35)(H,30,33,34)
InChIKeyNQWHZIPMNKUNJG-UHFFFAOYSA-N
MW540.45 g/mol
LogP6.22
Rot. Bonds6

About 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 175673020) has the molecular formula C22H14F6N6O2S and a molecular weight of 540.45 g/mol. Its IUPAC name is 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID175673020
Molecular FormulaC22H14F6N6O2S
Molecular Weight540.45 g/mol
Exact Mass540.08
IUPAC Name4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cnc(Nc3ccc(OC(F)(F)F)cc3)nc2C(F)(F)F)sc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H14F6N6O2S/c1-11-16(18(35)32-13-3-2-8-29-9-13)37-19(31-11)15-10-30-20(34-17(15)21(23,24)25)33-12-4-6-14(7-5-12)36-22(26,27)28/h2-10H,1H3,(H,32,35)(H,30,33,34)
InChIKeyNQWHZIPMNKUNJG-UHFFFAOYSA-N
XLogP6.22
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.45
LogP ≤ 56.22
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
Piperazin-1-yl(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanone
CID 42634392
(4-Methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)phenylamino)thieno[2,3-d]pyrimidin-6-yl)methanone
CID 42634556
CID 57559578
CID 57559578
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
6-(4-methoxyphenyl)-3-methyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 5310246
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 5310418
4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 145975616
5-(4-Methoxyphenyl)-13-(pyridin-3-ylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57881755
5-(4-Methoxyphenyl)-13-(pyridin-4-ylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57881781
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (CID 175673020) is 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2cnc(Nc3ccc(OC(F)(F)F)cc3)nc2C(F)(F)F)sc1C(=O)Nc1cccnc1.
What is the InChIKey of 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is NQWHZIPMNKUNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N6O2S/c1-11-16(18(35)32-13-3-2-8-29-9-13)37-19(31-11)15-10-30-20(34-17(15)21(23,24)25)33-12-4-6-14(7-5-12)36-22(26,27)28/h2-10H,1H3,(H,32,35)(H,30,33,34).
What are the key properties of 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 540.45 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyridin-3-yl-2-[2-[4-(trifluoromethoxy)anilino]-4-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175673020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).