4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

C10H10N4OS2 — CID 126459107

IUPAC4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nccs2)c(C)n1
InChIInChI=1S/C10H10N4OS2/c1-6-7(5-12-9(13-6)16-2)8(15)14-10-11-3-4-17-10/h3-5H,1-2H3,(H,11,14,15)
InChIKeyKRJXKLJASKRTGW-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.22
Rot. Bonds3

About 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide

4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 126459107) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID126459107
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nccs2)c(C)n1
InChIInChI=1S/C10H10N4OS2/c1-6-7(5-12-9(13-6)16-2)8(15)14-10-11-3-4-17-10/h3-5H,1-2H3,(H,11,14,15)
InChIKeyKRJXKLJASKRTGW-UHFFFAOYSA-N
XLogP2.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 126459107) is 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2nccs2)c(C)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is KRJXKLJASKRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-6-7(5-12-9(13-6)16-2)8(15)14-10-11-3-4-17-10/h3-5H,1-2H3,(H,11,14,15).
What are the key properties of 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 126459107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).