6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide

C17H17FN4O2S — CID 141443702

IUPAC6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C17H17FN4O2S/c1-9(2)19-16(24)14-10(3)22-17(25-14)20-15(23)13(21-22)8-11-4-6-12(18)7-5-11/h4-7,9H,8H2,1-3H3,(H,19,24)
InChIKeyCZFDIFAAXJDPRC-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.33
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide

6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (PubChem CID 141443702) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
PubChem CID141443702
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C17H17FN4O2S/c1-9(2)19-16(24)14-10(3)22-17(25-14)20-15(23)13(21-22)8-11-4-6-12(18)7-5-11/h4-7,9H,8H2,1-3H3,(H,19,24)
InChIKeyCZFDIFAAXJDPRC-UHFFFAOYSA-N
XLogP2.33
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (CID 141443702) is 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is Cc1c(C(=O)NC(C)C)sc2nc(=O)c(Cc3ccc(F)cc3)nn12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The InChIKey is CZFDIFAAXJDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-9(2)19-16(24)14-10(3)22-17(25-14)20-15(23)13(21-22)8-11-4-6-12(18)7-5-11/h4-7,9H,8H2,1-3H3,(H,19,24).
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is sourced from PubChem (CID 141443702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).