4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H29N3O5S — CID 11420042

IUPAC4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCCNCCO)cc3)n2)c1
InChIInChI=1S/C24H29N3O5S/c1-3-13-31-19-8-9-22(30-2)20(15-19)21-16-33-24(26-21)27-23(29)17-4-6-18(7-5-17)32-14-11-25-10-12-28/h4-9,15-16,25,28H,3,10-14H2,1-2H3,(H,26,27,29)
InChIKeyCCPWHDNOBQGTNX-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.82
Rot. Bonds13

About 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 11420042) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID11420042
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCCNCCO)cc3)n2)c1
InChIInChI=1S/C24H29N3O5S/c1-3-13-31-19-8-9-22(30-2)20(15-19)21-16-33-24(26-21)27-23(29)17-4-6-18(7-5-17)32-14-11-25-10-12-28/h4-9,15-16,25,28H,3,10-14H2,1-2H3,(H,26,27,29)
InChIKeyCCPWHDNOBQGTNX-UHFFFAOYSA-N
XLogP3.82
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-4-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 87462984
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-hydroxypropyl)benzamide
CID 141106168
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-oxopropyl)benzamide
CID 87282880
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 11420042) is 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCCNCCO)cc3)n2)c1.
What is the InChIKey of 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CCPWHDNOBQGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-3-13-31-19-8-9-22(30-2)20(15-19)21-16-33-24(26-21)27-23(29)17-4-6-18(7-5-17)32-14-11-25-10-12-28/h4-9,15-16,25,28H,3,10-14H2,1-2H3,(H,26,27,29).
What are the key properties of 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 471.58 g/mol, XLogP of 3.82, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethylamino)ethoxy]-N-[4-(2-methoxy-5-propoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 11420042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).