1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate

C14H14N4O2S — CID 3655510

IUPAC1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2)sc2ncnn12
InChIInChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)
InChIKeyAOUUMBPBMVOBSP-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.41
Rot. Bonds3

About 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate

1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate (PubChem CID 3655510) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
PubChem CID3655510
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate
SMILESCc1c(C(C)OC(=O)Nc2ccccc2)sc2ncnn12
InChIInChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)
InChIKeyAOUUMBPBMVOBSP-UHFFFAOYSA-N
XLogP3.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 1489963
CID 1489963
CID 44136109
CID 44136109
CID 44136507
CID 44136507
CID 53323263
CID 53323263
CID 53325899
CID 53325899
CID 53316688
CID 53316688
CID 44136108
CID 44136108
CID 44136508
CID 44136508
CID 1489964
CID 1489964
CID 53317971
CID 53317971
CID 53321917
CID 53321917
CID 3656547
CID 3656547

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate?
The IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate (CID 3655510) is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate.
What is the SMILES notation for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate?
The canonical SMILES for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate is Cc1c(C(C)OC(=O)Nc2ccccc2)sc2ncnn12.
What is the InChIKey of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate?
The InChIKey is AOUUMBPBMVOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19).
What are the key properties of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate?
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate has a molecular weight of 302.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-phenylcarbamate is sourced from PubChem (CID 3655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).