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

C19H22N4S — CID 127043103

IUPAC4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccnc(NC)n3)s2)cc1
InChIInChI=1S/C19H22N4S/c1-4-5-6-14-7-9-15(10-8-14)18-22-13(2)17(24-18)16-11-12-21-19(20-3)23-16/h7-12H,4-6H2,1-3H3,(H,20,21,23)
InChIKeyWFTONZJZLKXTFW-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.96
Rot. Bonds6

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

4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (PubChem CID 127043103) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
PubChem CID127043103
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCCCCc1ccc(-c2nc(C)c(-c3ccnc(NC)n3)s2)cc1
InChIInChI=1S/C19H22N4S/c1-4-5-6-14-7-9-15(10-8-14)18-22-13(2)17(24-18)16-11-12-21-19(20-3)23-16/h7-12H,4-6H2,1-3H3,(H,20,21,23)
InChIKeyWFTONZJZLKXTFW-UHFFFAOYSA-N
XLogP4.96
TPSA50.70 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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (CID 127043103) is 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is CCCCc1ccc(-c2nc(C)c(-c3ccnc(NC)n3)s2)cc1.
What is the InChIKey of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The InChIKey is WFTONZJZLKXTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-4-5-6-14-7-9-15(10-8-14)18-22-13(2)17(24-18)16-11-12-21-19(20-3)23-16/h7-12H,4-6H2,1-3H3,(H,20,21,23).
What are the key properties of 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine has a molecular weight of 338.48 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 127043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).