2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C15H14N6OS2 — CID 91793932

IUPAC2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2csc(-c3cnccn3)n2)cn1
InChIInChI=1S/C15H14N6OS2/c1-23-15-19-6-10(7-20-15)13(22)18-3-2-11-9-24-14(21-11)12-8-16-4-5-17-12/h4-9H,2-3H2,1H3,(H,18,22)
InChIKeyFTSHVDYROFMCAU-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.08
Rot. Bonds6

About 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 91793932) has the molecular formula C15H14N6OS2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID91793932
Molecular FormulaC15H14N6OS2
Molecular Weight358.45 g/mol
Exact Mass358.07
IUPAC Name2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2csc(-c3cnccn3)n2)cn1
InChIInChI=1S/C15H14N6OS2/c1-23-15-19-6-10(7-20-15)13(22)18-3-2-11-9-24-14(21-11)12-8-16-4-5-17-12/h4-9H,2-3H2,1H3,(H,18,22)
InChIKeyFTSHVDYROFMCAU-UHFFFAOYSA-N
XLogP2.08
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 91793932) is 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCc2csc(-c3cnccn3)n2)cn1.
What is the InChIKey of 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is FTSHVDYROFMCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS2/c1-23-15-19-6-10(7-20-15)13(22)18-3-2-11-9-24-14(21-11)12-8-16-4-5-17-12/h4-9H,2-3H2,1H3,(H,18,22).
What are the key properties of 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91793932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).