5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C24H29N5O3S — CID 72550634

IUPAC5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCCN1CCOCC1
InChIInChI=1S/C24H29N5O3S/c25-22(31)21-23(27-20(30)8-2-1-5-11-29-12-14-32-15-13-29)33-24(28-21)26-19-10-9-17-6-3-4-7-18(17)16-19/h3-4,6-7,9-10,16H,1-2,5,8,11-15H2,(H2,25,31)(H,26,28)(H,27,30)
InChIKeyOENZVNQEUIPJGE-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.97
Rot. Bonds10

About 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 72550634) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID72550634
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCCN1CCOCC1
InChIInChI=1S/C24H29N5O3S/c25-22(31)21-23(27-20(30)8-2-1-5-11-29-12-14-32-15-13-29)33-24(28-21)26-19-10-9-17-6-3-4-7-18(17)16-19/h3-4,6-7,9-10,16H,1-2,5,8,11-15H2,(H2,25,31)(H,26,28)(H,27,30)
InChIKeyOENZVNQEUIPJGE-UHFFFAOYSA-N
XLogP3.97
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 72550634) is 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCCN1CCOCC1.
What is the InChIKey of 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is OENZVNQEUIPJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c25-22(31)21-23(27-20(30)8-2-1-5-11-29-12-14-32-15-13-29)33-24(28-21)26-19-10-9-17-6-3-4-7-18(17)16-19/h3-4,6-7,9-10,16H,1-2,5,8,11-15H2,(H2,25,31)(H,26,28)(H,27,30).
What are the key properties of 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-ylhexanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72550634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).