N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate

C12H10Cl2N3O3S- — CID 57368703

IUPACN-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate
SMILESO=C([O-])N(CCO)Cc1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c13-7-2-1-3-8(14)10(7)11-9(15-21-16-11)6-17(4-5-18)12(19)20/h1-3,18H,4-6H2,(H,19,20)/p-1
InChIKeyGWYXPCBIOBXEMX-UHFFFAOYSA-M
MW347.20 g/mol
LogP1.65
Rot. Bonds5

About N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate

N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 57368703) has the molecular formula C12H10Cl2N3O3S- and a molecular weight of 347.20 g/mol. Its IUPAC name is N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound NameN-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate
PubChem CID57368703
Molecular FormulaC12H10Cl2N3O3S-
Molecular Weight347.20 g/mol
Exact Mass345.98
IUPAC NameN-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate
SMILESO=C([O-])N(CCO)Cc1nsnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O3S/c13-7-2-1-3-8(14)10(7)11-9(15-21-16-11)6-17(4-5-18)12(19)20/h1-3,18H,4-6H2,(H,19,20)/p-1
InChIKeyGWYXPCBIOBXEMX-UHFFFAOYSA-M
XLogP1.65
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate (CID 57368703) is N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate is O=C([O-])N(CCO)Cc1nsnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is GWYXPCBIOBXEMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11Cl2N3O3S/c13-7-2-1-3-8(14)10(7)11-9(15-21-16-11)6-17(4-5-18)12(19)20/h1-3,18H,4-6H2,(H,19,20)/p-1.
What are the key properties of N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate?
N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 347.20 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl]methyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 57368703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).