1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

C16H12ClN5OS2 — CID 1205193

IUPAC1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C16H12ClN5OS2/c1-21-16(18-19-20-21)24-9-15(23)22-11-4-2-3-5-13(11)25-14-7-6-10(17)8-12(14)22/h2-8H,9H2,1H3
InChIKeyHJCBMYWBOPHAGQ-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.79
Rot. Bonds3

About 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone

1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (PubChem CID 1205193) has the molecular formula C16H12ClN5OS2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
PubChem CID1205193
Molecular FormulaC16H12ClN5OS2
Molecular Weight389.89 g/mol
Exact Mass389.02
IUPAC Name1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
SMILESCn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C16H12ClN5OS2/c1-21-16(18-19-20-21)24-9-15(23)22-11-4-2-3-5-13(11)25-14-7-6-10(17)8-12(14)22/h2-8H,9H2,1H3
InChIKeyHJCBMYWBOPHAGQ-UHFFFAOYSA-N
XLogP3.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
CID 1130105
2-(1-Methyltetrazol-5-yl)sulfanyl-1-phenothiazin-10-ylethanone
CID 1847573
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
CID 1147156
1-(2-Chlorophenothiazin-10-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylethanone
CID 1044380
1-(2-chloro-10H-phenothiazin-10-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1160651
1-(2-chloro-10H-phenothiazin-10-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
CID 1119538
1-(2-chloro-10H-phenothiazin-10-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
CID 1202547
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-chloro-10H-phenothiazin-10-yl)ethanone
CID 1826083
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1108486
2-[(1-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1143968
1-(2-chloro-10H-phenothiazin-10-yl)-2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}ethanone
CID 1045230
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2587488

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CID 1205193) is 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The InChIKey is HJCBMYWBOPHAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5OS2/c1-21-16(18-19-20-21)24-9-15(23)22-11-4-2-3-5-13(11)25-14-7-6-10(17)8-12(14)22/h2-8H,9H2,1H3.
What are the key properties of 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone has a molecular weight of 389.89 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenothiazin-10-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 1205193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).