N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide

C24H28N4O2S — CID 46136429

IUPACN-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(C)c2)n1
InChIInChI=1S/C24H28N4O2S/c1-3-13-25-22(29)12-14-28(16-19-9-5-4-6-10-19)23(30)21-17-31-24(27-21)26-20-11-7-8-18(2)15-20/h4-11,15,17H,3,12-14,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDTAGGZDIIQQWHW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.75
Rot. Bonds10

About N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 46136429) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID46136429
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(C)c2)n1
InChIInChI=1S/C24H28N4O2S/c1-3-13-25-22(29)12-14-28(16-19-9-5-4-6-10-19)23(30)21-17-31-24(27-21)26-20-11-7-8-18(2)15-20/h4-11,15,17H,3,12-14,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDTAGGZDIIQQWHW-UHFFFAOYSA-N
XLogP4.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136477
N-benzyl-N-[3-(2-methylpropylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813259
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-benzyl-2-(2,3-dichloroanilino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42814301
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide (CID 46136429) is N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide is CCCNC(=O)CCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc(C)c2)n1.
What is the InChIKey of N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTAGGZDIIQQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-13-25-22(29)12-14-28(16-19-9-5-4-6-10-19)23(30)21-17-31-24(27-21)26-20-11-7-8-18(2)15-20/h4-11,15,17H,3,12-14,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46136429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).