N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 63050106

IUPACN-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2cscn2)c1
InChIInChI=1S/C15H19N3OS/c1-3-18(4-2)9-12-6-5-7-13(8-12)17-15(19)14-10-20-11-16-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyHDCBYBAVZKBMML-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide

N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 63050106) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID63050106
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2cscn2)c1
InChIInChI=1S/C15H19N3OS/c1-3-18(4-2)9-12-6-5-7-13(8-12)17-15(19)14-10-20-11-16-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyHDCBYBAVZKBMML-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-[3-(diethylaminomethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949828
N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63048189
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
4-amino-2-chloro-N-[3-(diethylaminomethyl)phenyl]benzamide
CID 119852845
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 43073865
N-[3-(diethylaminomethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38748212
N-[3-(diethylaminomethyl)phenyl]-2-phenylbenzamide
CID 38755706
N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
CID 81257020
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
2-amino-N-[3-(diethylaminomethyl)phenyl]-2-phenylpropanamide
CID 120595517

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 63050106) is N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide is CCN(CC)Cc1cccc(NC(=O)c2cscn2)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HDCBYBAVZKBMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-18(4-2)9-12-6-5-7-13(8-12)17-15(19)14-10-20-11-16-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63050106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).