1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide

C23H24N4O6S — CID 3627023

IUPAC1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C(N)=O)CC4)n3)c(=O)oc12
InChIInChI=1S/C23H24N4O6S/c1-32-17-4-2-3-14-11-15(22(31)33-20(14)17)16-12-34-23(25-16)26-18(28)5-6-19(29)27-9-7-13(8-10-27)21(24)30/h2-4,11-13H,5-10H2,1H3,(H2,24,30)(H,25,26,28)
InChIKeyBVBZQIMTIUOYHZ-UHFFFAOYSA-N
MW484.53 g/mol
LogP2.37
Rot. Bonds7

About 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide

1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 3627023) has the molecular formula C23H24N4O6S and a molecular weight of 484.53 g/mol. Its IUPAC name is 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID3627023
Molecular FormulaC23H24N4O6S
Molecular Weight484.53 g/mol
Exact Mass484.14
IUPAC Name1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C(N)=O)CC4)n3)c(=O)oc12
InChIInChI=1S/C23H24N4O6S/c1-32-17-4-2-3-14-11-15(22(31)33-20(14)17)16-12-34-23(25-16)26-18(28)5-6-19(29)27-9-7-13(8-10-27)21(24)30/h2-4,11-13H,5-10H2,1H3,(H2,24,30)(H,25,26,28)
InChIKeyBVBZQIMTIUOYHZ-UHFFFAOYSA-N
XLogP2.37
TPSA144.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanediamide
CID 3627019
4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
CID 1307730
3-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1159991
N-[4-(8-ethoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 4098996
8-methoxy-3-[2-(3-methylanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 1108270
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-8-methoxychromen-2-one
CID 1128729
N-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)-4-oxobutanamide
CID 22588306
N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 44916083
8-methoxy-3-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 11144292
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide (CID 3627023) is 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide is COc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C(N)=O)CC4)n3)c(=O)oc12.
What is the InChIKey of 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is BVBZQIMTIUOYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S/c1-32-17-4-2-3-14-11-15(22(31)33-20(14)17)16-12-34-23(25-16)26-18(28)5-6-19(29)27-9-7-13(8-10-27)21(24)30/h2-4,11-13H,5-10H2,1H3,(H2,24,30)(H,25,26,28).
What are the key properties of 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide?
1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(8-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 3627023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).