N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide

C11H10ClN5OS — CID 80893591

IUPACN-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN5OS/c1-6(18)14-7-2-4-8(5-3-7)19-11-16-9(12)15-10(13)17-11/h2-5H,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyCYZBDQUNUZLHFR-UHFFFAOYSA-N
MW295.76 g/mol
LogP2.22
Rot. Bonds3

About N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide

N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide (PubChem CID 80893591) has the molecular formula C11H10ClN5OS and a molecular weight of 295.76 g/mol. Its IUPAC name is N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
PubChem CID80893591
Molecular FormulaC11H10ClN5OS
Molecular Weight295.76 g/mol
Exact Mass295.03
IUPAC NameN-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H10ClN5OS/c1-6(18)14-7-2-4-8(5-3-7)19-11-16-9(12)15-10(13)17-11/h2-5H,1H3,(H,14,18)(H2,13,15,16,17)
InChIKeyCYZBDQUNUZLHFR-UHFFFAOYSA-N
XLogP2.22
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]acetamide
CID 80864660
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[(5,6-diamino-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 79825462
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
1-(2,4-dichlorophenyl)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]urea
CID 51031087
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
N-[4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 80947124
methyl 2-(4-acetamidophenyl)sulfanyl-4-chloro-1,3-thiazole-5-carboxylate
CID 60844924

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide (CID 80893591) is N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The InChIKey is CYZBDQUNUZLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5OS/c1-6(18)14-7-2-4-8(5-3-7)19-11-16-9(12)15-10(13)17-11/h2-5H,1H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide has a molecular weight of 295.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 80893591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).