N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine

C19H18FN3O2S2 — CID 9173944

IUPACN-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H18FN3O2S2/c1-27(24,25)23-10-2-3-14-11-13(4-9-18(14)23)17-12-26-19(22-17)21-16-7-5-15(20)6-8-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeySPOWRBXVBSFGJX-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.41
Rot. Bonds4

About N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine

N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine (PubChem CID 9173944) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
PubChem CID9173944
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC NameN-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C19H18FN3O2S2/c1-27(24,25)23-10-2-3-14-11-13(4-9-18(14)23)17-12-26-19(22-17)21-16-7-5-15(20)6-8-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22)
InChIKeySPOWRBXVBSFGJX-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine (CID 9173944) is N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine is CS(=O)(=O)N1CCCc2cc(-c3csc(Nc4ccc(F)cc4)n3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is SPOWRBXVBSFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c1-27(24,25)23-10-2-3-14-11-13(4-9-18(14)23)17-12-26-19(22-17)21-16-7-5-15(20)6-8-16/h4-9,11-12H,2-3,10H2,1H3,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 403.50 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9173944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).