N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide

C25H30N4O2S — CID 83283014

IUPACN-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C25H30N4O2S/c1-17-9-8-11-20(15-17)23(30)27-25-29(18(2)19(3)32-25)16-21-10-6-7-12-22(21)24(31)26-13-14-28(4)5/h6-12,15H,13-14,16H2,1-5H3,(H,26,31)/b27-25-
InChIKeyUAYVSOMINZDECP-RFBIWTDZSA-N
MW450.61 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide (PubChem CID 83283014) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide
PubChem CID83283014
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C25H30N4O2S/c1-17-9-8-11-20(15-17)23(30)27-25-29(18(2)19(3)32-25)16-21-10-6-7-12-22(21)24(31)26-13-14-28(4)5/h6-12,15H,13-14,16H2,1-5H3,(H,26,31)/b27-25-
InChIKeyUAYVSOMINZDECP-RFBIWTDZSA-N
XLogP3.56
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(3-chlorobenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 51067213
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CID 51067211
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-[[2-(furan-2-carbonylimino)-4,5-dimethyl-1,3-thiazol-3-yl]methyl]benzoic acid
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CID 93305756
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CID 42785639
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CID 45370530
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide (CID 83283014) is N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide is Cc1cccc(C(=O)/N=c2\sc(C)c(C)n2Cc2ccccc2C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide?
The InChIKey is UAYVSOMINZDECP-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-17-9-8-11-20(15-17)23(30)27-25-29(18(2)19(3)32-25)16-21-10-6-7-12-22(21)24(31)26-13-14-28(4)5/h6-12,15H,13-14,16H2,1-5H3,(H,26,31)/b27-25-.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide has a molecular weight of 450.61 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[[4,5-dimethyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 83283014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).