2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide

C24H29N5O2S — CID 46136477

IUPAC2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C24H29N5O2S/c1-28(2)16-14-25-22(30)13-15-29(17-19-9-5-3-6-10-19)23(31)21-18-32-24(27-21)26-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyAHYRCSQMKVDUIU-UHFFFAOYSA-N
MW451.60 g/mol
LogP3.60
Rot. Bonds11

About 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide

2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 46136477) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
PubChem CID46136477
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C24H29N5O2S/c1-28(2)16-14-25-22(30)13-15-29(17-19-9-5-3-6-10-19)23(31)21-18-32-24(27-21)26-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyAHYRCSQMKVDUIU-UHFFFAOYSA-N
XLogP3.60
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136429
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
N-benzyl-N-[3-(2-methylpropylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813259
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806
2-anilino-N-(2-methoxyethyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813370
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
N-benzyl-2-(2-methoxyanilino)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46137372
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide (CID 46136477) is 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AHYRCSQMKVDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-28(2)16-14-25-22(30)13-15-29(17-19-9-5-3-6-10-19)23(31)21-18-32-24(27-21)26-20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).