5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide

C30H33N3O4S — CID 171571702

IUPAC5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ncsc2N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C30H33N3O4S/c1-35-25-14-12-22(13-15-25)9-6-16-31-29(34)28-30(38-21-32-28)33(19-23-7-4-10-26(17-23)36-2)20-24-8-5-11-27(18-24)37-3/h4-5,7-8,10-15,17-18,21H,6,9,16,19-20H2,1-3H3,(H,31,34)
InChIKeyRIURJOJUBSFTQJ-UHFFFAOYSA-N
MW531.68 g/mol
LogP5.74
Rot. Bonds13

About 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide

5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 171571702) has the molecular formula C30H33N3O4S and a molecular weight of 531.68 g/mol. Its IUPAC name is 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID171571702
Molecular FormulaC30H33N3O4S
Molecular Weight531.68 g/mol
Exact Mass531.22
IUPAC Name5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ncsc2N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C30H33N3O4S/c1-35-25-14-12-22(13-15-25)9-6-16-31-29(34)28-30(38-21-32-28)33(19-23-7-4-10-26(17-23)36-2)20-24-8-5-11-27(18-24)37-3/h4-5,7-8,10-15,17-18,21H,6,9,16,19-20H2,1-3H3,(H,31,34)
InChIKeyRIURJOJUBSFTQJ-UHFFFAOYSA-N
XLogP5.74
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.68
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
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4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
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N-[2-(3-methoxyphenyl)ethyl]-1,3-benzothiazole-5-carboxamide
CID 154802014
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
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5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
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3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
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2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
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CID 132653897

Frequently Asked Questions

What is the IUPAC name of 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide (CID 171571702) is 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide is COc1ccc(CCCNC(=O)c2ncsc2N(Cc2cccc(OC)c2)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RIURJOJUBSFTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4S/c1-35-25-14-12-22(13-15-25)9-6-16-31-29(34)28-30(38-21-32-28)33(19-23-7-4-10-26(17-23)36-2)20-24-8-5-11-27(18-24)37-3/h4-5,7-8,10-15,17-18,21H,6,9,16,19-20H2,1-3H3,(H,31,34).
What are the key properties of 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide?
5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 531.68 g/mol, XLogP of 5.74, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis[(3-methoxyphenyl)methyl]amino]-N-[3-(4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171571702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).