N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

C19H27FN6S — CID 176723584

IUPACN-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC(CCF)(N4CCCCC4)C3)n2)sn1
InChIInChI=1S/C19H27FN6S/c1-14-11-21-18(22-16-10-15(2)24-27-16)23-17(14)25-12-19(13-25,6-7-20)26-8-4-3-5-9-26/h10-11H,3-9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyOFNSXTGMLSWFSE-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.70
Rot. Bonds6

About N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 176723584) has the molecular formula C19H27FN6S and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID176723584
Molecular FormulaC19H27FN6S
Molecular Weight390.53 g/mol
Exact Mass390.20
IUPAC NameN-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC(CCF)(N4CCCCC4)C3)n2)sn1
InChIInChI=1S/C19H27FN6S/c1-14-11-21-18(22-16-10-15(2)24-27-16)23-17(14)25-12-19(13-25,6-7-20)26-8-4-3-5-9-26/h10-11H,3-9,12-13H2,1-2H3,(H,21,22,23)
InChIKeyOFNSXTGMLSWFSE-UHFFFAOYSA-N
XLogP3.70
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

JAK Inhibitor 31
CID 166462621
N-[4-(3-cyclopropylazetidin-1-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
CID 172446055
2-[1-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 172460291
3-[1-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]propanenitrile
CID 172462912
2-[1-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3-piperidin-1-ylazetidin-3-yl]acetonitrile
CID 172466038
2-[1-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3-pyrrolidin-1-ylazetidin-3-yl]acetonitrile
CID 172467270
2-[3-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]acetonitrile
CID 172439270
2-[4-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetonitrile
CID 172441284
3-[3-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 172442480
3-[3-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]propanenitrile
CID 172445675
2-[3-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]-3,9-diazabicyclo[3.3.1]nonan-9-yl]acetonitrile
CID 172449221
2-[(2S)-2-methyl-4-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetonitrile
CID 172449437

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 176723584) is N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2ncc(C)c(N3CC(CCF)(N4CCCCC4)C3)n2)sn1.
What is the InChIKey of N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is OFNSXTGMLSWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6S/c1-14-11-21-18(22-16-10-15(2)24-27-16)23-17(14)25-12-19(13-25,6-7-20)26-8-4-3-5-9-26/h10-11H,3-9,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 390.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-fluoroethyl)-3-piperidin-1-ylazetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 176723584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).