N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C19H19N5O2S2 — CID 9478110

IUPACN'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)NNC(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C19H19N5O2S2/c1-12-8-15(14-6-4-3-5-7-14)22-19(21-12)28-11-17(26)24-23-16(25)9-18-20-13(2)10-27-18/h3-8,10H,9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYEBMOSJXUGSIPX-UHFFFAOYSA-N
MW413.53 g/mol
LogP2.70
Rot. Bonds6

About N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 9478110) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID9478110
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC NameN'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)NNC(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C19H19N5O2S2/c1-12-8-15(14-6-4-3-5-7-14)22-19(21-12)28-11-17(26)24-23-16(25)9-18-20-13(2)10-27-18/h3-8,10H,9,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYEBMOSJXUGSIPX-UHFFFAOYSA-N
XLogP2.70
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2192131
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2192132
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 8729800
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9478119
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3228873
N-(4-methylcyclohexyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8730989
N-[(1S)-1-cyclopropylethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731587
N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-(2-phenylphenoxy)acetohydrazide
CID 55350702
N-[(2R)-heptan-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731618
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 55443881

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 9478110) is N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1cc(-c2ccccc2)nc(SCC(=O)NNC(=O)Cc2nc(C)cs2)n1.
What is the InChIKey of N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is YEBMOSJXUGSIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-12-8-15(14-6-4-3-5-7-14)22-19(21-12)28-11-17(26)24-23-16(25)9-18-20-13(2)10-27-18/h3-8,10H,9,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 413.53 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 9478110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).