N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C18H19N3O3S — CID 72868028

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCc1cn3ccsc3n1)C2
InChIInChI=1S/C18H19N3O3S/c1-23-15-3-2-12-8-13(11-24-16(12)9-15)17(22)19-5-4-14-10-21-6-7-25-18(21)20-14/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,19,22)
InChIKeyNHGJWONIWOXYEY-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.31
Rot. Bonds5

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72868028) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72868028
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)NCCc1cn3ccsc3n1)C2
InChIInChI=1S/C18H19N3O3S/c1-23-15-3-2-12-8-13(11-24-16(12)9-15)17(22)19-5-4-14-10-21-6-7-25-18(21)20-14/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,19,22)
InChIKeyNHGJWONIWOXYEY-UHFFFAOYSA-N
XLogP2.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
(3S)-7-methoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97152619
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 72868028) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)NCCc1cn3ccsc3n1)C2.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NHGJWONIWOXYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-15-3-2-12-8-13(11-24-16(12)9-15)17(22)19-5-4-14-10-21-6-7-25-18(21)20-14/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,19,22).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72868028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).