N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide

C14H10Cl2N4OS — CID 108742357

IUPACN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)C1CC1
InChIInChI=1S/C14H10Cl2N4OS/c15-8-3-4-10(16)9(5-8)11-6-22-14-18-13(19-20(11)14)17-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,19,21)
InChIKeyQNCKAVRFCLTVCA-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.11
Rot. Bonds3

About N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide

N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide (PubChem CID 108742357) has the molecular formula C14H10Cl2N4OS and a molecular weight of 353.23 g/mol. Its IUPAC name is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
PubChem CID108742357
Molecular FormulaC14H10Cl2N4OS
Molecular Weight353.23 g/mol
Exact Mass352.00
IUPAC NameN-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)C1CC1
InChIInChI=1S/C14H10Cl2N4OS/c15-8-3-4-10(16)9(5-8)11-6-22-14-18-13(19-20(11)14)17-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,19,21)
InChIKeyQNCKAVRFCLTVCA-UHFFFAOYSA-N
XLogP4.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108742412
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-phenylbenzamide
CID 108764838
2-(4-bromophenyl)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108742448
4-chloro-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108742466
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764859
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 108764912
(E)-N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 108764870
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxybenzamide
CID 108742342
3-bromo-N-[6-(2,4-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728672
N-[5-(2,4-dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 54771546
methyl 4-[(E)-3-[[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-3-oxoprop-1-enyl]benzoate
CID 108742347
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide (CID 108742357) is N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2scc(-c3cc(Cl)ccc3Cl)n2n1)C1CC1.
What is the InChIKey of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide?
The InChIKey is QNCKAVRFCLTVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4OS/c15-8-3-4-10(16)9(5-8)11-6-22-14-18-13(19-20(11)14)17-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,19,21).
What are the key properties of N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide?
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide has a molecular weight of 353.23 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 108742357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).