3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide

C15H15ClN4OS — CID 108751761

IUPAC3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C15H15ClN4OS/c1-15(2,9-16)12(21)17-13-18-14-20(19-13)11(8-22-14)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,19,21)
InChIKeyOQEPRYGNNMBSBA-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.66
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide

3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide (PubChem CID 108751761) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
PubChem CID108751761
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1nc2scc(-c3ccccc3)n2n1
InChIInChI=1S/C15H15ClN4OS/c1-15(2,9-16)12(21)17-13-18-14-20(19-13)11(8-22-14)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,19,21)
InChIKeyOQEPRYGNNMBSBA-UHFFFAOYSA-N
XLogP3.66
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728011
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
3-(1,3-dioxoisoindol-2-yl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751815
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108751894
4-(4-chlorophenyl)-4-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butanamide
CID 108727919
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]butan-2-yl]carbamate
CID 108751752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide (CID 108751761) is 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide is CC(C)(CCl)C(=O)Nc1nc2scc(-c3ccccc3)n2n1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
The InChIKey is OQEPRYGNNMBSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-15(2,9-16)12(21)17-13-18-14-20(19-13)11(8-22-14)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,19,21).
What are the key properties of 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide?
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide has a molecular weight of 334.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide is sourced from PubChem (CID 108751761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).