N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide

C14H14N4O3S2 — CID 108780749

IUPACN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
SMILESCOc1ccccc1-c1csc2nc(NS(=O)(=O)C3CC3)nn12
InChIInChI=1S/C14H14N4O3S2/c1-21-12-5-3-2-4-10(12)11-8-22-14-15-13(16-18(11)14)17-23(19,20)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeySQQHELWIHJMCTI-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.37
Rot. Bonds5

About N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide (PubChem CID 108780749) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
PubChem CID108780749
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide
SMILESCOc1ccccc1-c1csc2nc(NS(=O)(=O)C3CC3)nn12
InChIInChI=1S/C14H14N4O3S2/c1-21-12-5-3-2-4-10(12)11-8-22-14-15-13(16-18(11)14)17-23(19,20)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeySQQHELWIHJMCTI-UHFFFAOYSA-N
XLogP2.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733
4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780737
5-chloro-2-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780743
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butane-1-sulfonamide
CID 108780734
4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108728841
6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methylfuran-2-carboxamide
CID 108728826
4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-3-nitrobenzenesulfonamide
CID 108772503
N-(2-chloro-6-methylpyrimidin-4-yl)-6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772516
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108728735
4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728824

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide (CID 108780749) is N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide is COc1ccccc1-c1csc2nc(NS(=O)(=O)C3CC3)nn12.
What is the InChIKey of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide?
The InChIKey is SQQHELWIHJMCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-21-12-5-3-2-4-10(12)11-8-22-14-15-13(16-18(11)14)17-23(19,20)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide?
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide has a molecular weight of 350.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 108780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).