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

C14H18FN5S — CID 176723549

IUPACN-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC(CCF)C3)n2)sn1
InChIInChI=1S/C14H18FN5S/c1-9-6-16-14(17-12-5-10(2)19-21-12)18-13(9)20-7-11(8-20)3-4-15/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyKFQCRPUEYJEVKE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.09
Rot. Bonds5

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

N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 176723549) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID176723549
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC NameN-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC(CCF)C3)n2)sn1
InChIInChI=1S/C14H18FN5S/c1-9-6-16-14(17-12-5-10(2)19-21-12)18-13(9)20-7-11(8-20)3-4-15/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyKFQCRPUEYJEVKE-UHFFFAOYSA-N
XLogP3.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

JAK Inhibitor 31
CID 166462621
3-Cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol
CID 168301726
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-[4-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetonitrile
CID 172441284
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
2-[1-[5-Methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]piperidin-4-yl]acetonitrile
CID 172465277
2-[2-Methyl-4-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetonitrile
CID 172468144
2-[3-[4-(2-Fluoroethyl)piperidin-1-yl]-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 175664458

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 176723549) is N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2ncc(C)c(N3CC(CCF)C3)n2)sn1.
What is the InChIKey of N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is KFQCRPUEYJEVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-9-6-16-14(17-12-5-10(2)19-21-12)18-13(9)20-7-11(8-20)3-4-15/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 307.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-fluoroethyl)azetidin-1-yl]-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 176723549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).