N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C15H18ClN3OS — CID 131923297

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2N(C)C)s1
InChIInChI=1S/C15H18ClN3OS/c1-5-13-17-9(2)14(21-13)15(20)18-11-8-10(16)6-7-12(11)19(3)4/h6-8H,5H2,1-4H3,(H,18,20)
InChIKeyWRDFGHVKNQWNSF-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.99
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 131923297) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID131923297
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2N(C)C)s1
InChIInChI=1S/C15H18ClN3OS/c1-5-13-17-9(2)14(21-13)15(20)18-11-8-10(16)6-7-12(11)19(3)4/h6-8H,5H2,1-4H3,(H,18,20)
InChIKeyWRDFGHVKNQWNSF-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
CID 131944002
5-bromo-N-[5-chloro-2-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 55336457
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55687015
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55807359
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 131923297) is N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2cc(Cl)ccc2N(C)C)s1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WRDFGHVKNQWNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-5-13-17-9(2)14(21-13)15(20)18-11-8-10(16)6-7-12(11)19(3)4/h6-8H,5H2,1-4H3,(H,18,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131923297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).