4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C15H20N4OS2 — CID 71982047

IUPAC4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H20N4OS2/c1-8(2)13-18-9(3)12(15(19-13)21-5)14(20)17-7-11-6-16-10(4)22-11/h6,8H,7H2,1-5H3,(H,17,20)
InChIKeyYQLUJKXXOMPVNH-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide

4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 71982047) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID71982047
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H20N4OS2/c1-8(2)13-18-9(3)12(15(19-13)21-5)14(20)17-7-11-6-16-10(4)22-11/h6,8H,7H2,1-5H3,(H,17,20)
InChIKeyYQLUJKXXOMPVNH-UHFFFAOYSA-N
XLogP3.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 71982047) is 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)NCc1cnc(C)s1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is YQLUJKXXOMPVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-8(2)13-18-9(3)12(15(19-13)21-5)14(20)17-7-11-6-16-10(4)22-11/h6,8H,7H2,1-5H3,(H,17,20).
What are the key properties of 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 71982047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).