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

C21H23F2N7O2S — CID 176889349

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H23F2N7O2S/c1-12-8-18(29-19(25-12)21(3,22)23)27-15-9-17(26-13(2)31)24-10-14(15)16-11-33-20(28-16)30-4-6-32-7-5-30/h8-11H,4-7H2,1-3H3,(H2,24,25,26,27,29,31)
InChIKeyQWWQBTZTWKKILV-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.95
Rot. Bonds6

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

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 176889349) has the molecular formula C21H23F2N7O2S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-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-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide
PubChem CID176889349
Molecular FormulaC21H23F2N7O2S
Molecular Weight475.53 g/mol
Exact Mass475.16
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H23F2N7O2S/c1-12-8-18(29-19(25-12)21(3,22)23)27-15-9-17(26-13(2)31)24-10-14(15)16-11-33-20(28-16)30-4-6-32-7-5-30/h8-11H,4-7H2,1-3H3,(H2,24,25,26,27,29,31)
InChIKeyQWWQBTZTWKKILV-UHFFFAOYSA-N
XLogP3.95
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 46886361
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398
5-{2-[(4-morpholin-4-ylpyridin-2-yl)amino]-1,3-thiazol-5-yl}-N-(2,2,2-trifluoroethyl)nicotinamide
CID 15980107
5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15980475
N-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylacetamide
CID 25109494
3-[5-[2-[(4-Morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]prop-2-yn-1-ol
CID 57867473
5-[5-[(E)-3-aminoprop-1-enyl]-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 57867523
4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-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-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide (CID 176889349) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-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-morpholin-4-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-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2csc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is QWWQBTZTWKKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N7O2S/c1-12-8-18(29-19(25-12)21(3,22)23)27-15-9-17(26-13(2)31)24-10-14(15)16-11-33-20(28-16)30-4-6-32-7-5-30/h8-11H,4-7H2,1-3H3,(H2,24,25,26,27,29,31).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 475.53 g/mol, XLogP of 3.95, 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-morpholin-4-yl-1,3-thiazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 176889349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).