N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine

C20H26F2N6S — CID 172892030

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCN(Cc1csc(C2CC2)n1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C20H26F2N6S/c1-26(9-15-12-29-19(25-15)14-2-3-14)16-10-28(11-16)18-8-17(23-13-24-18)27-6-4-20(21,22)5-7-27/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyVZCOPTITYNKBSF-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine (PubChem CID 172892030) has the molecular formula C20H26F2N6S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
PubChem CID172892030
Molecular FormulaC20H26F2N6S
Molecular Weight420.53 g/mol
Exact Mass420.19
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
SMILESCN(Cc1csc(C2CC2)n1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1
InChIInChI=1S/C20H26F2N6S/c1-26(9-15-12-29-19(25-15)14-2-3-14)16-10-28(11-16)18-8-17(23-13-24-18)27-6-4-20(21,22)5-7-27/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyVZCOPTITYNKBSF-UHFFFAOYSA-N
XLogP3.37
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892183
N-[(5-bromo-3-pyridinyl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine
CID 172892544
1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 175650004
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171334628
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881588
2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387919
4-(4,4-difluoropiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 172891083
7-(6-methoxypyrimidin-4-yl)-N-methyl-N-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451210
[4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163349291
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328165
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 171130428
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 66388844

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine (CID 172892030) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine is CN(Cc1csc(C2CC2)n1)C1CN(c2cc(N3CCC(F)(F)CC3)ncn2)C1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
The InChIKey is VZCOPTITYNKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N6S/c1-26(9-15-12-29-19(25-15)14-2-3-14)16-10-28(11-16)18-8-17(23-13-24-18)27-6-4-20(21,22)5-7-27/h8,12-14,16H,2-7,9-11H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine has a molecular weight of 420.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-N-methylazetidin-3-amine is sourced from PubChem (CID 172892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).