4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide

C20H19N3O5S — CID 1307730

IUPAC4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C20H19N3O5S/c24-17(5-6-18(25)23-7-9-27-10-8-23)22-20-21-15(12-29-20)14-11-13-3-1-2-4-16(13)28-19(14)26/h1-4,11-12H,5-10H2,(H,21,22,24)
InChIKeyBEAPKGKOTBZPKO-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.49
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide

4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 1307730) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID1307730
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C20H19N3O5S/c24-17(5-6-18(25)23-7-9-27-10-8-23)22-20-21-15(12-29-20)14-11-13-3-1-2-4-16(13)28-19(14)26/h1-4,11-12H,5-10H2,(H,21,22,24)
InChIKeyBEAPKGKOTBZPKO-UHFFFAOYSA-N
XLogP2.49
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)butanediamide
CID 126479036
3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
CID 16644544
3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
CID 8005733
2-(5-chlorothiophen-2-yl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 41340432
3-(4-methoxyphenyl)sulfanyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]propanamide
CID 41324862
1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
CID 3627023
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 42380720
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
N-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
CID 22588306
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide (CID 1307730) is 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide is O=C(CCC(=O)N1CCOCC1)Nc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is BEAPKGKOTBZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-17(5-6-18(25)23-7-9-27-10-8-23)22-20-21-15(12-29-20)14-11-13-3-1-2-4-16(13)28-19(14)26/h1-4,11-12H,5-10H2,(H,21,22,24).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide?
4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 413.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 1307730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).