N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C18H18N4OS2 — CID 1096276

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1
InChIInChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)
InChIKeyLHMBJRUBDQYYSV-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.87
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 1096276) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID1096276
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1
InChIInChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)
InChIKeyLHMBJRUBDQYYSV-UHFFFAOYSA-N
XLogP3.87
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 1096276) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is LHMBJRUBDQYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 370.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1096276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).