3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide

C16H19Cl2N3OS — CID 18721477

IUPAC3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1
InChIInChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)10-12-7-5-11(6-8-12)9-19-16(22)14-13(17)15(18)20-23-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyCYQFBFWFYCPRTG-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.22
Rot. Bonds7

About 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide

3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide (PubChem CID 18721477) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
PubChem CID18721477
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC Name3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1
InChIInChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)10-12-7-5-11(6-8-12)9-19-16(22)14-13(17)15(18)20-23-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyCYQFBFWFYCPRTG-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
3-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 27335326
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide (CID 18721477) is 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2snc(Cl)c2Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
The InChIKey is CYQFBFWFYCPRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS/c1-3-21(4-2)10-12-7-5-11(6-8-12)9-19-16(22)14-13(17)15(18)20-23-14/h5-8H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide has a molecular weight of 372.32 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[4-(diethylaminomethyl)phenyl]methyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 18721477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).