N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

C14H15F2N5S — CID 176723831

IUPACN-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC4(C3)CC4(F)F)n2)sn1
InChIInChI=1S/C14H15F2N5S/c1-8-4-17-12(18-10-3-9(2)20-22-10)19-11(8)21-6-13(7-21)5-14(13,15)16/h3-4H,5-7H2,1-2H3,(H,17,18,19)
InChIKeyYZBUBOJDXGEUSI-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.14
Rot. Bonds3

About N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine

N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 176723831) has the molecular formula C14H15F2N5S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID176723831
Molecular FormulaC14H15F2N5S
Molecular Weight323.37 g/mol
Exact Mass323.10
IUPAC NameN-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ncc(C)c(N3CC4(C3)CC4(F)F)n2)sn1
InChIInChI=1S/C14H15F2N5S/c1-8-4-17-12(18-10-3-9(2)20-22-10)19-11(8)21-6-13(7-21)5-14(13,15)16/h3-4H,5-7H2,1-2H3,(H,17,18,19)
InChIKeyYZBUBOJDXGEUSI-UHFFFAOYSA-N
XLogP3.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.14
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-[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
2-[3-(4-Fluoropiperidin-1-yl)-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 175664461

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine (CID 176723831) is N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2ncc(C)c(N3CC4(C3)CC4(F)F)n2)sn1.
What is the InChIKey of N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is YZBUBOJDXGEUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5S/c1-8-4-17-12(18-10-3-9(2)20-22-10)19-11(8)21-6-13(7-21)5-14(13,15)16/h3-4H,5-7H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine?
N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 323.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-5-methylpyrimidin-2-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 176723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).