2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine

C34H47N5O4S2 — CID 167489379

IUPAC2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine
SMILESCCN(CC)CCOCCOc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2CC(C)C)cc1.CN(C)C
InChIInChI=1S/C31H38N4O4S2.C3H9N/c1-5-35(6-2)13-14-38-15-16-39-24-11-9-22(10-12-24)28-27(18-21(3)4)41-31(33-28)34-29-25(30(36)37)19-23(20-32-29)26-8-7-17-40-26;1-4(2)3/h7-12,17,19-21H,5-6,13-16,18H2,1-4H3,(H,36,37)(H,32,33,34);1-3H3
InChIKeySBKGXWCYTNGTCI-UHFFFAOYSA-N
MW653.92 g/mol
LogP7.49
Rot. Bonds16

About 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine

2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine (PubChem CID 167489379) has the molecular formula C34H47N5O4S2 and a molecular weight of 653.92 g/mol. Its IUPAC name is 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine
PubChem CID167489379
Molecular FormulaC34H47N5O4S2
Molecular Weight653.92 g/mol
Exact Mass653.31
IUPAC Name2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine
SMILESCCN(CC)CCOCCOc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2CC(C)C)cc1.CN(C)C
InChIInChI=1S/C31H38N4O4S2.C3H9N/c1-5-35(6-2)13-14-38-15-16-39-24-11-9-22(10-12-24)28-27(18-21(3)4)41-31(33-28)34-29-25(30(36)37)19-23(20-32-29)26-8-7-17-40-26;1-4(2)3/h7-12,17,19-21H,5-6,13-16,18H2,1-4H3,(H,36,37)(H,32,33,34);1-3H3
InChIKeySBKGXWCYTNGTCI-UHFFFAOYSA-N
XLogP7.49
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.92
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine?
The IUPAC name of 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine (CID 167489379) is 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine.
What is the SMILES notation for 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine?
The canonical SMILES for 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine is CCN(CC)CCOCCOc1ccc(-c2nc(Nc3ncc(-c4cccs4)cc3C(=O)O)sc2CC(C)C)cc1.CN(C)C.
What is the InChIKey of 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine?
The InChIKey is SBKGXWCYTNGTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O4S2.C3H9N/c1-5-35(6-2)13-14-38-15-16-39-24-11-9-22(10-12-24)28-27(18-21(3)4)41-31(33-28)34-29-25(30(36)37)19-23(20-32-29)26-8-7-17-40-26;1-4(2)3/h7-12,17,19-21H,5-6,13-16,18H2,1-4H3,(H,36,37)(H,32,33,34);1-3H3.
What are the key properties of 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine?
2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine has a molecular weight of 653.92 g/mol, XLogP of 7.49, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[2-[2-(diethylamino)ethoxy]ethoxy]phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;N,N-dimethylmethanamine is sourced from PubChem (CID 167489379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).