4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

C17H10ClFN4S — CID 91885650

IUPAC4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccc3ncccc3n2)s1
InChIInChI=1S/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23)
InChIKeyQPTHMBUJLWRYEC-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.80
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine

4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine (PubChem CID 91885650) has the molecular formula C17H10ClFN4S and a molecular weight of 356.81 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
PubChem CID91885650
Molecular FormulaC17H10ClFN4S
Molecular Weight356.81 g/mol
Exact Mass356.03
IUPAC Name4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccc3ncccc3n2)s1
InChIInChI=1S/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23)
InChIKeyQPTHMBUJLWRYEC-UHFFFAOYSA-N
XLogP4.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Methylphenyl)-5-(1,5-Naphthyridin-2-Yl)-1,3-Thiazol-2-Amine
CID 91885649
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
4-(4-Fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine
CID 11290221
4-(3-Chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
CID 11473228
4-(6-Methylpyridin-2-yl)-5-(quinoxalin-6-yl)thiazol-2-amine
CID 44571365
N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
5-(1,5-Naphthyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 9922527
4-(6-Methyl-pyridin-2-yl)-5-[1,5]naphthyridin-2-yl-thiazol-2-ylamine
CID 9923039
5-(6-Methyl-1,5-naphthyridin-4-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 11162962
5-(8-Methyl-[1,5]naphthyridin-2-yl)-4-pyridin-2-yl-thiazol-2-ylamine
CID 11359080

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine (CID 91885650) is 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccc3ncccc3n2)s1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is QPTHMBUJLWRYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4S/c18-10-8-9(3-4-11(10)19)15-16(24-17(20)23-15)14-6-5-12-13(22-14)2-1-7-21-12/h1-8H,(H2,20,23).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine?
4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 356.81 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91885650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).