3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide

C22H25N5O2S — CID 59208491

IUPAC3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCCNC(=O)Nc1cc(-c2nc(CC)cs2)c(-c2cccc(C(=O)N(C)C)c2)cn1
InChIInChI=1S/C22H25N5O2S/c1-5-16-13-30-20(25-16)17-11-19(26-22(29)23-6-2)24-12-18(17)14-8-7-9-15(10-14)21(28)27(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24,26,29)
InChIKeyJEUQBZIXRFDLSC-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds6

About 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide

3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 59208491) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID59208491
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCCNC(=O)Nc1cc(-c2nc(CC)cs2)c(-c2cccc(C(=O)N(C)C)c2)cn1
InChIInChI=1S/C22H25N5O2S/c1-5-16-13-30-20(25-16)17-11-19(26-22(29)23-6-2)24-12-18(17)14-8-7-9-15(10-14)21(28)27(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24,26,29)
InChIKeyJEUQBZIXRFDLSC-UHFFFAOYSA-N
XLogP4.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
CID 67288491
[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]oxyboronic acid
CID 142785516
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxylic acid
CID 67057335
4-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 143854971
5-[4-(4-tert-butyl-1,3-thiazol-2-yl)-6-(ethylcarbamoylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
CID 25126792
1-[4-(4-cyclopentyl-1,3-thiazol-2-yl)-5-[5-(hydrazinecarbonyl)-3-pyridinyl]-2-pyridinyl]-3-ethylurea
CID 67289547
5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-2-fluorobenzoic acid
CID 59415756
5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 143854950
[6-(ethylcarbamoylamino)-4-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-pyridinyl]oxyboronic acid
CID 142785517
ethyl 5-[6-(ethylcarbamoylamino)-4-[4-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-yl]-3-pyridinyl]pyridine-3-carboxylate
CID 67288900
N,1-diethyl-6-[6-(ethylcarbamoylamino)-4-(4-phenyl-1,3-thiazol-2-yl)-3-pyridinyl]-4-oxoquinoline-3-carboxamide
CID 59415831
ethyl (Z)-4-(dimethylamino)-2-[5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-2-fluorobenzoyl]but-2-enoate
CID 70944099

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide (CID 59208491) is 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide is CCNC(=O)Nc1cc(-c2nc(CC)cs2)c(-c2cccc(C(=O)N(C)C)c2)cn1.
What is the InChIKey of 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is JEUQBZIXRFDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-5-16-13-30-20(25-16)17-11-19(26-22(29)23-6-2)24-12-18(17)14-8-7-9-15(10-14)21(28)27(3)4/h7-13H,5-6H2,1-4H3,(H2,23,24,26,29).
What are the key properties of 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide?
3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 423.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59208491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).