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

C9H8N4OS2 — CID 2227046

IUPAC2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nccs2)cn1
InChIInChI=1S/C9H8N4OS2/c1-15-8-11-4-6(5-12-8)7(14)13-9-10-2-3-16-9/h2-5H,1H3,(H,10,13,14)
InChIKeyUTFXEJRFOCMZIT-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.91
Rot. Bonds3

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

2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (PubChem CID 2227046) has the molecular formula C9H8N4OS2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
PubChem CID2227046
Molecular FormulaC9H8N4OS2
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC Name2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2nccs2)cn1
InChIInChI=1S/C9H8N4OS2/c1-15-8-11-4-6(5-12-8)7(14)13-9-10-2-3-16-9/h2-5H,1H3,(H,10,13,14)
InChIKeyUTFXEJRFOCMZIT-UHFFFAOYSA-N
XLogP1.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide (CID 2227046) is 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2nccs2)cn1.
What is the InChIKey of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is UTFXEJRFOCMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS2/c1-15-8-11-4-6(5-12-8)7(14)13-9-10-2-3-16-9/h2-5H,1H3,(H,10,13,14).
What are the key properties of 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide?
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 2227046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).