[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C20H19F3N6OS — CID 52907446

IUPAC[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)n1
InChIInChI=1S/C20H19F3N6OS/c1-13-3-2-4-16(25-13)27-19-26-15(12-31-19)18(30)29-9-7-28(8-10-29)17-6-5-14(11-24-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,25,26,27)
InChIKeyBDSNLDUYCLSWOW-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.97
Rot. Bonds4

About [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 52907446) has the molecular formula C20H19F3N6OS and a molecular weight of 448.47 g/mol. Its IUPAC name is [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID52907446
Molecular FormulaC20H19F3N6OS
Molecular Weight448.47 g/mol
Exact Mass448.13
IUPAC Name[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cccc(Nc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)n1
InChIInChI=1S/C20H19F3N6OS/c1-13-3-2-4-16(25-13)27-19-26-15(12-31-19)18(30)29-9-7-28(8-10-29)17-6-5-14(11-24-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,25,26,27)
InChIKeyBDSNLDUYCLSWOW-UHFFFAOYSA-N
XLogP3.97
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90506298
[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90510362
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809948
(2-thiophen-2-yl-1,3-thiazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 38710863
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
[2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 171342228
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26783475
[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 31306162

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 52907446) is [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1cccc(Nc2nc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)n1.
What is the InChIKey of [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is BDSNLDUYCLSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6OS/c1-13-3-2-4-16(25-13)27-19-26-15(12-31-19)18(30)29-9-7-28(8-10-29)17-6-5-14(11-24-17)20(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,25,26,27).
What are the key properties of [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 448.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 52907446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).