phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

C13H12N4O2S — CID 108727693

IUPACphenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESCc1sc2nc(NC(=O)Oc3ccccc3)nn2c1C
InChIInChI=1S/C13H12N4O2S/c1-8-9(2)20-12-14-11(16-17(8)12)15-13(18)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,18)
InChIKeyCXWWXFHGVPMNLD-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.02
Rot. Bonds2

About phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate

phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (PubChem CID 108727693) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
PubChem CID108727693
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Namephenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
SMILESCc1sc2nc(NC(=O)Oc3ccccc3)nn2c1C
InChIInChI=1S/C13H12N4O2S/c1-8-9(2)20-12-14-11(16-17(8)12)15-13(18)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,18)
InChIKeyCXWWXFHGVPMNLD-UHFFFAOYSA-N
XLogP3.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727687
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide
CID 108727760
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 108751609
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
4-(3,4-dimethylphenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxobutanamide
CID 108727737
phenyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
CID 23361835
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
phenyl N-(4-methoxy-5-methylpyrimidin-2-yl)carbamate
CID 67824669
phenyl N-phenoxycarbonylcarbamate
CID 11043392
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The IUPAC name of phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate (CID 108727693) is phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is Cc1sc2nc(NC(=O)Oc3ccccc3)nn2c1C.
What is the InChIKey of phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
The InChIKey is CXWWXFHGVPMNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-8-9(2)20-12-14-11(16-17(8)12)15-13(18)19-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16,18).
What are the key properties of phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate?
phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate has a molecular weight of 288.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate is sourced from PubChem (CID 108727693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).