N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine

C14H11ClF2N4S — CID 143045052

IUPACN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine
SMILESCc1cc(Nc2cnc(C(C)(F)F)s2)c2ccc(Cl)nc2n1
InChIInChI=1S/C14H11ClF2N4S/c1-7-5-9(8-3-4-10(15)21-12(8)19-7)20-11-6-18-13(22-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,21)
InChIKeyFMYQORKPGYIKAB-UHFFFAOYSA-N
MW340.79 g/mol
LogP4.90
Rot. Bonds3

About N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine

N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine (PubChem CID 143045052) has the molecular formula C14H11ClF2N4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine
PubChem CID143045052
Molecular FormulaC14H11ClF2N4S
Molecular Weight340.79 g/mol
Exact Mass340.04
IUPAC NameN-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine
SMILESCc1cc(Nc2cnc(C(C)(F)F)s2)c2ccc(Cl)nc2n1
InChIInChI=1S/C14H11ClF2N4S/c1-7-5-9(8-3-4-10(15)21-12(8)19-7)20-11-6-18-13(22-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,21)
InChIKeyFMYQORKPGYIKAB-UHFFFAOYSA-N
XLogP4.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
(6-Chloro-pyridin-3-yl)-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-amine
CID 11198278
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)thiazol-4-yl)-1,8-naphthyridin-4-amine
CID 11510499
4-chloro-5-(difluoromethyl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 52919873
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52941436
5-(2-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942573
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942728
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-cyclobutylthiazol-2-amine
CID 52943906
(S)-N-sec-butyl-5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52946367

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine (CID 143045052) is N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine is Cc1cc(Nc2cnc(C(C)(F)F)s2)c2ccc(Cl)nc2n1.
What is the InChIKey of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is FMYQORKPGYIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4S/c1-7-5-9(8-3-4-10(15)21-12(8)19-7)20-11-6-18-13(22-11)14(2,16)17/h3-6H,1-2H3,(H,19,20,21).
What are the key properties of N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine?
N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 340.79 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 143045052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).