N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide

C20H21F2N7OS — CID 170730347

IUPACN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nc3c(s2)CCN(C)C3)cn1
InChIInChI=1S/C20H21F2N7OS/c1-11(30)25-17-8-13(26-16-4-6-23-19(28-16)20(2,21)22)12(9-24-17)18-27-14-10-29(3)7-5-15(14)31-18/h4,6,8-9H,5,7,10H2,1-3H3,(H2,23,24,25,26,28,30)
InChIKeyGOVNNCPPXBCXBF-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.80
Rot. Bonds5

About N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 170730347) has the molecular formula C20H21F2N7OS and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide
PubChem CID170730347
Molecular FormulaC20H21F2N7OS
Molecular Weight445.50 g/mol
Exact Mass445.15
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nc3c(s2)CCN(C)C3)cn1
InChIInChI=1S/C20H21F2N7OS/c1-11(30)25-17-8-13(26-16-4-6-23-19(28-16)20(2,21)22)12(9-24-17)18-27-14-10-29(3)7-5-15(14)31-18/h4,6,8-9H,5,7,10H2,1-3H3,(H2,23,24,25,26,28,30)
InChIKeyGOVNNCPPXBCXBF-UHFFFAOYSA-N
XLogP3.80
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
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
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433
1-[6-(4-Methylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 10294111
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 15979015
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
N-(2-(1,4''-bipiperidin-1''-yl)benzo[d]thiazol-6-yl)acetamide
CID 45482692
N-[5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-pyridinyl]acetamide
CID 45482727
N-(2-(1,4''-bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)acetamide
CID 45482780
1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 46830768
4-(5-Amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)-N-(p-tolyl)piperazine-1-carboxamide
CID 46916382

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide (CID 170730347) is N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2ccnc(C(C)(F)F)n2)c(-c2nc3c(s2)CCN(C)C3)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide?
The InChIKey is GOVNNCPPXBCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N7OS/c1-11(30)25-17-8-13(26-16-4-6-23-19(28-16)20(2,21)22)12(9-24-17)18-27-14-10-29(3)7-5-15(14)31-18/h4,6,8-9H,5,7,10H2,1-3H3,(H2,23,24,25,26,28,30).
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 445.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 170730347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).