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

C20H25Cl2N5O2S — CID 42813478

IUPACN-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1)C1CC1
InChIInChI=1S/C20H25Cl2N5O2S/c1-26(2)10-8-23-18(28)7-9-27(14-4-5-14)19(29)17-12-30-20(25-17)24-13-3-6-15(21)16(22)11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyFZQYTBQZIOCVNX-UHFFFAOYSA-N
MW470.43 g/mol
LogP3.87
Rot. Bonds10

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

N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813478) has the molecular formula C20H25Cl2N5O2S and a molecular weight of 470.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
PubChem CID42813478
Molecular FormulaC20H25Cl2N5O2S
Molecular Weight470.43 g/mol
Exact Mass469.11
IUPAC NameN-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CCN(C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1)C1CC1
InChIInChI=1S/C20H25Cl2N5O2S/c1-26(2)10-8-23-18(28)7-9-27(14-4-5-14)19(29)17-12-30-20(25-17)24-13-3-6-15(21)16(22)11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyFZQYTBQZIOCVNX-UHFFFAOYSA-N
XLogP3.87
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide 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

2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813493
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136477
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813573
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813263

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide (CID 42813478) is N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CCN(C(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FZQYTBQZIOCVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2S/c1-26(2)10-8-23-18(28)7-9-27(14-4-5-14)19(29)17-12-30-20(25-17)24-13-3-6-15(21)16(22)11-13/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 470.43 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).