2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide

C14H16Cl2N4OS — CID 1096742

IUPAC2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H16Cl2N4OS/c1-20(2)6-5-17-13(21)12-8-22-14(19-12)18-9-3-4-10(15)11(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyHQSVQRVPVORTDE-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.48
Rot. Bonds6

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

2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 1096742) has the molecular formula C14H16Cl2N4OS and a molecular weight of 359.28 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID1096742
Molecular FormulaC14H16Cl2N4OS
Molecular Weight359.28 g/mol
Exact Mass358.04
IUPAC Name2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C14H16Cl2N4OS/c1-20(2)6-5-17-13(21)12-8-22-14(19-12)18-9-3-4-10(15)11(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyHQSVQRVPVORTDE-UHFFFAOYSA-N
XLogP3.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 1096742) is 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HQSVQRVPVORTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4OS/c1-20(2)6-5-17-13(21)12-8-22-14(19-12)18-9-3-4-10(15)11(16)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 359.28 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1096742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).