3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine

C18H16ClF3N4S — CID 168582799

IUPAC3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc(C(F)(F)F)cc1-c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C18H16ClF3N4S/c1-26(2)16-15(7-12(8-24-16)18(20,21)22)11-3-5-13(6-4-11)23-9-14-10-25-17(19)27-14/h3-8,10,23H,9H2,1-2H3
InChIKeyKEZVETHXMZDDPB-UHFFFAOYSA-N
MW412.87 g/mol
LogP5.56
Rot. Bonds5

About 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine

3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 168582799) has the molecular formula C18H16ClF3N4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID168582799
Molecular FormulaC18H16ClF3N4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1ncc(C(F)(F)F)cc1-c1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C18H16ClF3N4S/c1-26(2)16-15(7-12(8-24-16)18(20,21)22)11-3-5-13(6-4-11)23-9-14-10-25-17(19)27-14/h3-8,10,23H,9H2,1-2H3
InChIKeyKEZVETHXMZDDPB-UHFFFAOYSA-N
XLogP5.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.87
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

3-[4-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]anilino]propane-1,2-diol
CID 168596058
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-iodo-5-(trifluoromethyl)aniline
CID 168580762
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]aniline
CID 168583225
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoro-5-(trifluoromethyl)aniline
CID 168582780
2-tert-butyl-5-[(2-chloro-1,3-thiazol-5-yl)methylamino]isoindole-1,3-dione
CID 168581821
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]-N,N-dimethylbenzenesulfonamide
CID 168579937
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-bis(2,2,2-trifluoroethoxy)aniline
CID 168583320
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-amine
CID 168582413

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine (CID 168582799) is 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine is CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KEZVETHXMZDDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4S/c1-26(2)16-15(7-12(8-24-16)18(20,21)22)11-3-5-13(6-4-11)23-9-14-10-25-17(19)27-14/h3-8,10,23H,9H2,1-2H3.
What are the key properties of 3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine?
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 412.87 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-dimethyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 168582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).