3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide

C15H18ClN3OS — CID 168583840

IUPAC3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)14(20)8-5-11-3-6-12(7-4-11)17-9-13-10-18-15(16)21-13/h3-4,6-7,10,17H,5,8-9H2,1-2H3
InChIKeyDBOFFHUOURHQOE-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.43
Rot. Bonds6

About 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide

3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide (PubChem CID 168583840) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
PubChem CID168583840
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C15H18ClN3OS/c1-19(2)14(20)8-5-11-3-6-12(7-4-11)17-9-13-10-18-15(16)21-13/h3-4,6-7,10,17H,5,8-9H2,1-2H3
InChIKeyDBOFFHUOURHQOE-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168581843

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide (CID 168583840) is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is DBOFFHUOURHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-19(2)14(20)8-5-11-3-6-12(7-4-11)17-9-13-10-18-15(16)21-13/h3-4,6-7,10,17H,5,8-9H2,1-2H3.
What are the key properties of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide?
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 323.85 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 168583840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).