3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide

C15H18ClN3OS — CID 104878920

IUPAC3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3OS/c1-3-19(4-2)15(20)11-6-5-7-12(8-11)17-10-14-18-9-13(16)21-14/h5-9,17H,3-4,10H2,1-2H3
InChIKeyOYICODIISKMTAW-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.89
Rot. Bonds6

About 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide

3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide (PubChem CID 104878920) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
PubChem CID104878920
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3OS/c1-3-19(4-2)15(20)11-6-5-7-12(8-11)17-10-14-18-9-13(16)21-14/h5-9,17H,3-4,10H2,1-2H3
InChIKeyOYICODIISKMTAW-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
3-[(3-chloro-2-hydroxypropyl)amino]-N,N-diethylbenzamide
CID 168637498
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide?
The IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide (CID 104878920) is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCc2ncc(Cl)s2)c1.
What is the InChIKey of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide?
The InChIKey is OYICODIISKMTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-19(4-2)15(20)11-6-5-7-12(8-11)17-10-14-18-9-13(16)21-14/h5-9,17H,3-4,10H2,1-2H3.
What are the key properties of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide?
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide has a molecular weight of 323.85 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 104878920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).