N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C18H22N4O3S2 — CID 56765118

IUPACN-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)c3cccs3)sc2C1)NCC1CCCO1
InChIInChI=1S/C18H22N4O3S2/c23-16(19-9-12-3-1-7-25-12)11-22-6-5-13-15(10-22)27-18(20-13)21-17(24)14-4-2-8-26-14/h2,4,8,12H,1,3,5-7,9-11H2,(H,19,23)(H,20,21,24)
InChIKeyBVHFUVGEHRESHM-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.11
Rot. Bonds6

About N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 56765118) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
PubChem CID56765118
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC NameN-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)c3cccs3)sc2C1)NCC1CCCO1
InChIInChI=1S/C18H22N4O3S2/c23-16(19-9-12-3-1-7-25-12)11-22-6-5-13-15(10-22)27-18(20-13)21-17(24)14-4-2-8-26-14/h2,4,8,12H,1,3,5-7,9-11H2,(H,19,23)(H,20,21,24)
InChIKeyBVHFUVGEHRESHM-UHFFFAOYSA-N
XLogP2.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 56765118) is N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(CN1CCc2nc(NC(=O)c3cccs3)sc2C1)NCC1CCCO1.
What is the InChIKey of N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The InChIKey is BVHFUVGEHRESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c23-16(19-9-12-3-1-7-25-12)11-22-6-5-13-15(10-22)27-18(20-13)21-17(24)14-4-2-8-26-14/h2,4,8,12H,1,3,5-7,9-11H2,(H,19,23)(H,20,21,24).
What are the key properties of N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56765118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).