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

C14H13FN4O2S — CID 7531042

IUPACmethyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
SMILESCOC(=O)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C14H13FN4O2S/c1-21-14(20)16-7-6-9-8-22-13-17-12(18-19(9)13)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20)
InChIKeyFFTLVUNIUDUSEO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.50
Rot. Bonds4

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

methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate (PubChem CID 7531042) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
PubChem CID7531042
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Namemethyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
SMILESCOC(=O)NCCc1csc2nc(-c3ccccc3F)nn12
InChIInChI=1S/C14H13FN4O2S/c1-21-14(20)16-7-6-9-8-22-13-17-12(18-19(9)13)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20)
InChIKeyFFTLVUNIUDUSEO-UHFFFAOYSA-N
XLogP2.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-methoxyacetamide
CID 7531010
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7530978
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 20965931
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]cyclopentanecarboxamide
CID 7530989
5-bromo-2-chloro-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzamide
CID 44976706
3-(3,4-dimethoxyphenyl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]prop-2-enamide
CID 75281539
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20965885
2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]acetic acid
CID 98020595
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 7530936
benzyl N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate
CID 7530972
N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 20965821
N'-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]oxamide
CID 20965935

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate (CID 7531042) is methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate is COC(=O)NCCc1csc2nc(-c3ccccc3F)nn12.
What is the InChIKey of methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
The InChIKey is FFTLVUNIUDUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-21-14(20)16-7-6-9-8-22-13-17-12(18-19(9)13)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20).
What are the key properties of methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate?
methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate has a molecular weight of 320.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(2-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]carbamate is sourced from PubChem (CID 7531042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).