2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane

C14H19F2N5S — CID 145049253

IUPAC2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
SMILESCC.CC1CN(c2ncc(-c3nc(N)cs3)cn2)CC1(F)F
InChIInChI=1S/C12H13F2N5S.C2H6/c1-7-4-19(6-12(7,13)14)11-16-2-8(3-17-11)10-18-9(15)5-20-10;1-2/h2-3,5,7H,4,6,15H2,1H3;1-2H3
InChIKeyWRCGJSPJESDZTJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.30
Rot. Bonds2

About 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane

2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane (PubChem CID 145049253) has the molecular formula C14H19F2N5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane.

Molecular Properties

Compound Name2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
PubChem CID145049253
Molecular FormulaC14H19F2N5S
Molecular Weight327.40 g/mol
Exact Mass327.13
IUPAC Name2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane
SMILESCC.CC1CN(c2ncc(-c3nc(N)cs3)cn2)CC1(F)F
InChIInChI=1S/C12H13F2N5S.C2H6/c1-7-4-19(6-12(7,13)14)11-16-2-8(3-17-11)10-18-9(15)5-20-10;1-2/h2-3,5,7H,4,6,15H2,1H3;1-2H3
InChIKeyWRCGJSPJESDZTJ-UHFFFAOYSA-N
XLogP3.30
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane?
The IUPAC name of 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane (CID 145049253) is 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane.
What is the SMILES notation for 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane?
The canonical SMILES for 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane is CC.CC1CN(c2ncc(-c3nc(N)cs3)cn2)CC1(F)F.
What is the InChIKey of 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane?
The InChIKey is WRCGJSPJESDZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5S.C2H6/c1-7-4-19(6-12(7,13)14)11-16-2-8(3-17-11)10-18-9(15)5-20-10;1-2/h2-3,5,7H,4,6,15H2,1H3;1-2H3.
What are the key properties of 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane?
2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane has a molecular weight of 327.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrimidin-5-yl]-1,3-thiazol-4-amine;ethane is sourced from PubChem (CID 145049253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).