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

C24H23F3N8O2S2 — CID 144983944

IUPAC[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(CO)cn5)CC4C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C24H23F3N8O2S2/c1-13-20(39-14(2)31-13)17-12-38-23(32-17)33-19-4-3-16(9-28-19)21(37)35-6-5-34(10-18(35)24(25,26)27)22-29-7-15(11-36)8-30-22/h3-4,7-9,12,18,36H,5-6,10-11H2,1-2H3,(H,28,32,33)
InChIKeyNQFWMEDTTUDGFW-UHFFFAOYSA-N
MW576.63 g/mol
LogP4.20
Rot. Bonds6

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

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone (PubChem CID 144983944) has the molecular formula C24H23F3N8O2S2 and a molecular weight of 576.63 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone
PubChem CID144983944
Molecular FormulaC24H23F3N8O2S2
Molecular Weight576.63 g/mol
Exact Mass576.13
IUPAC Name[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(CO)cn5)CC4C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C24H23F3N8O2S2/c1-13-20(39-14(2)31-13)17-12-38-23(32-17)33-19-4-3-16(9-28-19)21(37)35-6-5-34(10-18(35)24(25,26)27)22-29-7-15(11-36)8-30-22/h3-4,7-9,12,18,36H,5-6,10-11H2,1-2H3,(H,28,32,33)
InChIKeyNQFWMEDTTUDGFW-UHFFFAOYSA-N
XLogP4.20
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.63
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone?
The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone (CID 144983944) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(CO)cn5)CC4C(F)(F)F)cn3)n2)s1.
What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone?
The InChIKey is NQFWMEDTTUDGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O2S2/c1-13-20(39-14(2)31-13)17-12-38-23(32-17)33-19-4-3-16(9-28-19)21(37)35-6-5-34(10-18(35)24(25,26)27)22-29-7-15(11-36)8-30-22/h3-4,7-9,12,18,36H,5-6,10-11H2,1-2H3,(H,28,32,33).
What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone?
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone has a molecular weight of 576.63 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[4-[5-(hydroxymethyl)pyrimidin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 144983944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).