N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C13H16N4OS2 — CID 9457621

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C13H16N4OS2/c1-13(2,3)9-7-19-12(16-9)17-10(18)8-20-11-14-5-4-6-15-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyNCGAEQFVLBRGRG-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.96
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9457621) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9457621
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C13H16N4OS2/c1-13(2,3)9-7-19-12(16-9)17-10(18)8-20-11-14-5-4-6-15-11/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyNCGAEQFVLBRGRG-UHFFFAOYSA-N
XLogP2.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 9457621) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)(C)c1csc(NC(=O)CSc2ncccn2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NCGAEQFVLBRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-13(2,3)9-7-19-12(16-9)17-10(18)8-20-11-14-5-4-6-15-11/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 308.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9457621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).