5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

C19H22N4S — CID 91224871

IUPAC5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCC(C)c1ccccc1-c1nccc(CCCc2cnc(N)s2)n1
InChIInChI=1S/C19H22N4S/c1-13(2)16-8-3-4-9-17(16)18-21-11-10-14(23-18)6-5-7-15-12-22-19(20)24-15/h3-4,8-13H,5-7H2,1-2H3,(H2,20,22)
InChIKeyKILWILFVRDUFGG-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.48
Rot. Bonds6

About 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine

5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 91224871) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
PubChem CID91224871
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine
SMILESCC(C)c1ccccc1-c1nccc(CCCc2cnc(N)s2)n1
InChIInChI=1S/C19H22N4S/c1-13(2)16-8-3-4-9-17(16)18-21-11-10-14(23-18)6-5-7-15-12-22-19(20)24-15/h3-4,8-13H,5-7H2,1-2H3,(H2,20,22)
InChIKeyKILWILFVRDUFGG-UHFFFAOYSA-N
XLogP4.48
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine (CID 91224871) is 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is CC(C)c1ccccc1-c1nccc(CCCc2cnc(N)s2)n1.
What is the InChIKey of 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is KILWILFVRDUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13(2)16-8-3-4-9-17(16)18-21-11-10-14(23-18)6-5-7-15-12-22-19(20)24-15/h3-4,8-13H,5-7H2,1-2H3,(H2,20,22).
What are the key properties of 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine?
5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 338.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-propan-2-ylphenyl)pyrimidin-4-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91224871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).