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

C12H12F2N4O3S — CID 137462577

IUPAC4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(OC(F)F)ncc(N3CCOCC3)c2s1
InChIInChI=1S/C12H12F2N4O3S/c13-12(14)21-10-7-8(22-11(17-7)9(15)19)6(5-16-10)18-1-3-20-4-2-18/h5,12H,1-4H2,(H2,15,19)
InChIKeyDDAMFEGMQNTKFV-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.23
Rot. Bonds4

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

4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (PubChem CID 137462577) has the molecular formula C12H12F2N4O3S and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
PubChem CID137462577
Molecular FormulaC12H12F2N4O3S
Molecular Weight330.32 g/mol
Exact Mass330.06
IUPAC Name4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(OC(F)F)ncc(N3CCOCC3)c2s1
InChIInChI=1S/C12H12F2N4O3S/c13-12(14)21-10-7-8(22-11(17-7)9(15)19)6(5-16-10)18-1-3-20-4-2-18/h5,12H,1-4H2,(H2,15,19)
InChIKeyDDAMFEGMQNTKFV-UHFFFAOYSA-N
XLogP1.23
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide (CID 137462577) is 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is NC(=O)c1nc2c(OC(F)F)ncc(N3CCOCC3)c2s1.
What is the InChIKey of 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
The InChIKey is DDAMFEGMQNTKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3S/c13-12(14)21-10-7-8(22-11(17-7)9(15)19)6(5-16-10)18-1-3-20-4-2-18/h5,12H,1-4H2,(H2,15,19).
What are the key properties of 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide?
4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 137462577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).