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

C22H27N5O3S — CID 46136486

IUPAC2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C22H27N5O3S/c1-26(2)13-11-23-20(28)10-12-27(15-18-9-6-14-30-18)21(29)19-16-31-22(25-19)24-17-7-4-3-5-8-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyOLVPOWPBCPFMGL-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.19
Rot. Bonds11

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

2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46136486) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46136486
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C22H27N5O3S/c1-26(2)13-11-23-20(28)10-12-27(15-18-9-6-14-30-18)21(29)19-16-31-22(25-19)24-17-7-4-3-5-8-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyOLVPOWPBCPFMGL-UHFFFAOYSA-N
XLogP3.19
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42814212
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-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136381
2-(2-chloroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136585
N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136429
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 46136331
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 42814213
2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
2-anilino-N-benzyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-1,3-thiazole-4-carboxamide
CID 46136473

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46136486) is 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OLVPOWPBCPFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-26(2)13-11-23-20(28)10-12-27(15-18-9-6-14-30-18)21(29)19-16-31-22(25-19)24-17-7-4-3-5-8-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide?
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46136486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).