N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

C19H23N5O3S — CID 97410601

IUPACN-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2c(s1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C19H23N5O3S/c25-17(21-6-8-23-9-11-27-12-10-23)18-22-16-15(28-18)4-2-7-24(16)19(26)14-3-1-5-20-13-14/h1,3,5,13H,2,4,6-12H2,(H,21,25)
InChIKeyFSBGIMHFRTUBDX-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.19
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (PubChem CID 97410601) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
PubChem CID97410601
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc2c(s1)CCCN2C(=O)c1cccnc1
InChIInChI=1S/C19H23N5O3S/c25-17(21-6-8-23-9-11-27-12-10-23)18-22-16-15(28-18)4-2-7-24(16)19(26)14-3-1-5-20-13-14/h1,3,5,13H,2,4,6-12H2,(H,21,25)
InChIKeyFSBGIMHFRTUBDX-UHFFFAOYSA-N
XLogP1.19
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (CID 97410601) is N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is O=C(NCCN1CCOCC1)c1nc2c(s1)CCCN2C(=O)c1cccnc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The InChIKey is FSBGIMHFRTUBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c25-17(21-6-8-23-9-11-27-12-10-23)18-22-16-15(28-18)4-2-7-24(16)19(26)14-3-1-5-20-13-14/h1,3,5,13H,2,4,6-12H2,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-(pyridine-3-carbonyl)-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 97410601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).