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

C10H10N4OS2 — CID 9457592

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1csc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)14-8(15)6-17-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyYYODXBCVQTVEDC-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.97
Rot. Bonds4

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

N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9457592) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9457592
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1csc(NC(=O)CSc2ncccn2)n1
InChIInChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)14-8(15)6-17-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,13,14,15)
InChIKeyYYODXBCVQTVEDC-UHFFFAOYSA-N
XLogP1.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 9457592) is N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is Cc1csc(NC(=O)CSc2ncccn2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is YYODXBCVQTVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)14-8(15)6-17-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,13,14,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9457592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).