5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

C11H13FN4S — CID 58095737

IUPAC5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccnc(C(C)(C)F)n1
InChIInChI=1S/C11H13FN4S/c1-6-8(17-10(13)15-6)7-4-5-14-9(16-7)11(2,3)12/h4-5H,1-3H3,(H2,13,15)
InChIKeyGGMNNARUCCWRRE-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds2

About 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine

5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 58095737) has the molecular formula C11H13FN4S and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID58095737
Molecular FormulaC11H13FN4S
Molecular Weight252.32 g/mol
Exact Mass252.08
IUPAC Name5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1ccnc(C(C)(C)F)n1
InChIInChI=1S/C11H13FN4S/c1-6-8(17-10(13)15-6)7-4-5-14-9(16-7)11(2,3)12/h4-5H,1-3H3,(H2,13,15)
InChIKeyGGMNNARUCCWRRE-UHFFFAOYSA-N
XLogP2.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 58095737) is 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1ccnc(C(C)(C)F)n1.
What is the InChIKey of 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GGMNNARUCCWRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4S/c1-6-8(17-10(13)15-6)7-4-5-14-9(16-7)11(2,3)12/h4-5H,1-3H3,(H2,13,15).
What are the key properties of 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58095737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).