N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

C22H26F2N8OS — CID 175990675

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C22H26F2N8OS/c1-13-9-19(30-20(26-13)22(3,23)24)28-16-10-18(27-14(2)33)25-11-15(16)17-12-34-21(29-17)32-7-5-31(4)6-8-32/h9-12H,5-8H2,1-4H3,(H2,25,26,27,28,30,33)
InChIKeyBHDYJEFLPDPYLD-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 175990675) has the molecular formula C22H26F2N8OS and a molecular weight of 488.57 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
PubChem CID175990675
Molecular FormulaC22H26F2N8OS
Molecular Weight488.57 g/mol
Exact Mass488.19
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCN(C)CC3)n2)cn1
InChIInChI=1S/C22H26F2N8OS/c1-13-9-19(30-20(26-13)22(3,23)24)28-16-10-18(27-14(2)33)25-11-15(16)17-12-34-21(29-17)32-7-5-31(4)6-8-32/h9-12H,5-8H2,1-4H3,(H2,25,26,27,28,30,33)
InChIKeyBHDYJEFLPDPYLD-UHFFFAOYSA-N
XLogP3.87
TPSA99.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
3-Amino-N-[4-[6-amino-2-(trifluoromethyl)-4-pyrimidinyl]-3-pyridinyl]-6-(2-thiazolyl)-2-pyridinecarboxamide
CID 69047229
N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535157
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[2-(trifluoromethyl)-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137660008
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137637746
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (CID 175990675) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCN(C)CC3)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is BHDYJEFLPDPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N8OS/c1-13-9-19(30-20(26-13)22(3,23)24)28-16-10-18(27-14(2)33)25-11-15(16)17-12-34-21(29-17)32-7-5-31(4)6-8-32/h9-12H,5-8H2,1-4H3,(H2,25,26,27,28,30,33).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 488.57 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).