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

C14H13FN4O2S — CID 4617128

IUPAC1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2ccc(F)cc2)sc2ncnn12
InChIInChI=1S/C14H13FN4O2S/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,18,20)
InChIKeySHAOLBXTAVMJQO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.55
Rot. Bonds3

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

1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate (PubChem CID 4617128) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate
PubChem CID4617128
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate
SMILESCc1c(C(C)OC(=O)Nc2ccc(F)cc2)sc2ncnn12
InChIInChI=1S/C14H13FN4O2S/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,18,20)
InChIKeySHAOLBXTAVMJQO-UHFFFAOYSA-N
XLogP3.55
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.55
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 3655510
CID 3655510
CID 44136508
CID 44136508
CID 1489964
CID 1489964
CID 53317971
CID 53317971
CID 53321917
CID 53321917

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-(4-fluorophenyl)carbamate?
The IUPAC name of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate (CID 4617128) is 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate is Cc1c(C(C)OC(=O)Nc2ccc(F)cc2)sc2ncnn12.
What is the InChIKey of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate?
The InChIKey is SHAOLBXTAVMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-8-12(22-13-16-7-17-19(8)13)9(2)21-14(20)18-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,18,20).
What are the key properties of 1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate?
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-(4-fluorophenyl)carbamate has a molecular weight of 320.35 g/mol, XLogP of 3.55, 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-(4-fluorophenyl)carbamate is sourced from PubChem (CID 4617128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).