N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C20H26Cl2N4O3S — CID 83281447

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)CCN(CCOC)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H26Cl2N4O3S/c1-4-13(2)23-18(27)7-8-26(9-10-29-3)19(28)17-12-30-20(25-17)24-16-11-14(21)5-6-15(16)22/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyASNKCVOWUMZLPG-UHFFFAOYSA-N
MW473.43 g/mol
LogP4.59
Rot. Bonds11

About N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 83281447) has the molecular formula C20H26Cl2N4O3S and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID83281447
Molecular FormulaC20H26Cl2N4O3S
Molecular Weight473.43 g/mol
Exact Mass472.11
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)CCN(CCOC)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C20H26Cl2N4O3S/c1-4-13(2)23-18(27)7-8-26(9-10-29-3)19(28)17-12-30-20(25-17)24-16-11-14(21)5-6-15(16)22/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyASNKCVOWUMZLPG-UHFFFAOYSA-N
XLogP4.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-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

N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-(2-chloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 93305207
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137274
2-(5-chloro-2-methylanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46137280
2-(5-chloro-2-methylanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42814219
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689
2-[(4-chlorobenzoyl)amino]-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16915037
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42814356
2-(4-fluoroanilino)-N-[3-(4-fluoroanilino)-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46136247
5-benzyl-N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332291
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 83281447) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)CCN(CCOC)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ASNKCVOWUMZLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N4O3S/c1-4-13(2)23-18(27)7-8-26(9-10-29-3)19(28)17-12-30-20(25-17)24-16-11-14(21)5-6-15(16)22/h5-6,11-13H,4,7-10H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 473.43 g/mol, XLogP of 4.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83281447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).