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

C16H20ClN5O2S — CID 42813506

IUPAC2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O2S/c1-22(2)8-7-18-14(23)9-19-15(24)13-10-25-16(21-13)20-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyCEFRCYHKICSNEQ-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.95
Rot. Bonds8

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

2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813506) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID42813506
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC Name2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)CNC(=O)c1csc(Nc2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O2S/c1-22(2)8-7-18-14(23)9-19-15(24)13-10-25-16(21-13)20-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,21)
InChIKeyCEFRCYHKICSNEQ-UHFFFAOYSA-N
XLogP1.95
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 42813501
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 83279349
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813493
2-(2-chloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995281
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-(2-chloroanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 93305207

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 42813506) is 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)CNC(=O)c1csc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CEFRCYHKICSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2S/c1-22(2)8-7-18-14(23)9-19-15(24)13-10-25-16(21-13)20-12-6-4-3-5-11(12)17/h3-6,10H,7-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,21).
What are the key properties of 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.89 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).