N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

C13H16N4OS2 — CID 91788327

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N4OS2/c1-8-9(2)20-11(17-8)4-5-14-12(18)10-6-15-13(19-3)16-7-10/h6-7H,4-5H2,1-3H3,(H,14,18)
InChIKeyLGPCUZXDFSJMIG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91788327) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91788327
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H16N4OS2/c1-8-9(2)20-11(17-8)4-5-14-12(18)10-6-15-13(19-3)16-7-10/h6-7H,4-5H2,1-3H3,(H,14,18)
InChIKeyLGPCUZXDFSJMIG-UHFFFAOYSA-N
XLogP2.24
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 91788327) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCc2nc(C)c(C)s2)cn1.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is LGPCUZXDFSJMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-8-9(2)20-11(17-8)4-5-14-12(18)10-6-15-13(19-3)16-7-10/h6-7H,4-5H2,1-3H3,(H,14,18).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91788327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).