4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

C12H13FN4O3S — CID 137462511

IUPAC4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(OCF)ncc(N3CCOCC3)c2s1
InChIInChI=1S/C12H13FN4O3S/c13-6-20-11-8-9(21-12(16-8)10(14)18)7(5-15-11)17-1-3-19-4-2-17/h5H,1-4,6H2,(H2,14,18)
InChIKeySSBPYQRGZCISBX-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.93
Rot. Bonds4

About 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 137462511) has the molecular formula C12H13FN4O3S and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID137462511
Molecular FormulaC12H13FN4O3S
Molecular Weight312.33 g/mol
Exact Mass312.07
IUPAC Name4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(OCF)ncc(N3CCOCC3)c2s1
InChIInChI=1S/C12H13FN4O3S/c13-6-20-11-8-9(21-12(16-8)10(14)18)7(5-15-11)17-1-3-19-4-2-17/h5H,1-4,6H2,(H2,14,18)
InChIKeySSBPYQRGZCISBX-UHFFFAOYSA-N
XLogP0.93
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 137462511) is 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is NC(=O)c1nc2c(OCF)ncc(N3CCOCC3)c2s1.
What is the InChIKey of 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is SSBPYQRGZCISBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O3S/c13-6-20-11-8-9(21-12(16-8)10(14)18)7(5-15-11)17-1-3-19-4-2-17/h5H,1-4,6H2,(H2,14,18).
What are the key properties of 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 137462511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).