2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

C16H19Cl2N5O2S — CID 42813537

IUPAC2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H19Cl2N5O2S/c1-23(2)6-5-19-14(24)8-20-15(25)13-9-26-16(22-13)21-12-7-10(17)3-4-11(12)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyQDALFCILSKPKSO-UHFFFAOYSA-N
MW416.33 g/mol
LogP2.60
Rot. Bonds8

About 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813537) has the molecular formula C16H19Cl2N5O2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID42813537
Molecular FormulaC16H19Cl2N5O2S
Molecular Weight416.33 g/mol
Exact Mass415.06
IUPAC Name2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C16H19Cl2N5O2S/c1-23(2)6-5-19-14(24)8-20-15(25)13-9-26-16(22-13)21-12-7-10(17)3-4-11(12)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22)
InChIKeyQDALFCILSKPKSO-UHFFFAOYSA-N
XLogP2.60
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813506
2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
2-(5-chloro-2-methylanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46137280
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
6-N-(2,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096411
6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(2,5-dichloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 83281447
2-(5-chloro-2-methylanilino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42814356
but-2-enedioic acid;2-[(3-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 173232363

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 42813537) is 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CNC(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QDALFCILSKPKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O2S/c1-23(2)6-5-19-14(24)8-20-15(25)13-9-26-16(22-13)21-12-7-10(17)3-4-11(12)18/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,24)(H,20,25)(H,21,22).
What are the key properties of 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).