2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H15N5OS2 — CID 2816994

IUPAC2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1n[nH]c(CN2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C17H15N5OS2/c18-15(23)10-24-17-19-16(20-21-17)9-22-11-5-1-3-7-13(11)25-14-8-4-2-6-12(14)22/h1-8H,9-10H2,(H2,18,23)(H,19,20,21)
InChIKeyDTAOYIVYXJATCE-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.18
Rot. Bonds5

About 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2816994) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2816994
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1n[nH]c(CN2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C17H15N5OS2/c18-15(23)10-24-17-19-16(20-21-17)9-22-11-5-1-3-7-13(11)25-14-8-4-2-6-12(14)22/h1-8H,9-10H2,(H2,18,23)(H,19,20,21)
InChIKeyDTAOYIVYXJATCE-UHFFFAOYSA-N
XLogP3.18
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Phenothiazin-10-yl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 736364
2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 3163865
10-{[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}-10H-phenothiazine
CID 1212264
2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 5309526
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1021305
1-Phenothiazin-10-yl-2-(5-p-tolyl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 1329792
2-[[5-(Phenothiazin-10-ylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 7022174
ethyl 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 2816993
1-{[3-(10H-phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetone
CID 2816995
10-((4H-1,2,4-Triazol-3-ylthio)acetyl)-10H-phenothiazine hydrochloride
CID 45054227
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 2978435
2-[[5-(anilinomethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 146315081

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2816994) is 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is NC(=O)CSc1n[nH]c(CN2c3ccccc3Sc3ccccc32)n1.
What is the InChIKey of 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is DTAOYIVYXJATCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c18-15(23)10-24-17-19-16(20-21-17)9-22-11-5-1-3-7-13(11)25-14-8-4-2-6-12(14)22/h1-8H,9-10H2,(H2,18,23)(H,19,20,21).
What are the key properties of 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 369.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenothiazin-10-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).