N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide

C19H18ClN3OS — CID 50830718

IUPACN-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C19H18ClN3OS/c1-2-13-5-4-8-16(10-13)22-19-23-17(12-25-19)18(24)21-11-14-6-3-7-15(20)9-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBEWWNLTASWYPS-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.03
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 50830718) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
PubChem CID50830718
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
SMILESCCc1cccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c1
InChIInChI=1S/C19H18ClN3OS/c1-2-13-5-4-8-16(10-13)22-19-23-17(12-25-19)18(24)21-11-14-6-3-7-15(20)9-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBEWWNLTASWYPS-UHFFFAOYSA-N
XLogP5.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719
2-(4-chloroanilino)-N-[5-[(3-chlorophenyl)methylamino]pentyl]-1,3-thiazole-4-carboxamide
CID 86574827
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158387
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
2-(3-chlorophenyl)-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55978480

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide (CID 50830718) is N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide is CCc1cccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is XBEWWNLTASWYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-2-13-5-4-8-16(10-13)22-19-23-17(12-25-19)18(24)21-11-14-6-3-7-15(20)9-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50830718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).