2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C18H18N4O2S2 — CID 135669322

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(=O)[nH]3)s2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-4-3-5-13(6-11)8-14-9-19-17(26-14)22-16(24)10-25-18-20-12(2)7-15(23)21-18/h3-7,9H,8,10H2,1-2H3,(H,19,22,24)(H,20,21,23)
InChIKeyYFVRJQGFXOBFKA-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.16
Rot. Bonds6

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135669322) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135669322
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(=O)[nH]3)s2)c1
InChIInChI=1S/C18H18N4O2S2/c1-11-4-3-5-13(6-11)8-14-9-19-17(26-14)22-16(24)10-25-18-20-12(2)7-15(23)21-18/h3-7,9H,8,10H2,1-2H3,(H,19,22,24)(H,20,21,23)
InChIKeyYFVRJQGFXOBFKA-UHFFFAOYSA-N
XLogP3.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 135669322) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(=O)[nH]3)s2)c1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YFVRJQGFXOBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11-4-3-5-13(6-11)8-14-9-19-17(26-14)22-16(24)10-25-18-20-12(2)7-15(23)21-18/h3-7,9H,8,10H2,1-2H3,(H,19,22,24)(H,20,21,23).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135669322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).