N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine

C13H9ClFN3S — CID 168581212

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
SMILESFc1cnc2ccc(NCc3cnc(Cl)s3)cc2c1
InChIInChI=1S/C13H9ClFN3S/c14-13-18-7-11(19-13)6-16-10-1-2-12-8(4-10)3-9(15)5-17-12/h1-5,7,16H,6H2
InChIKeyUIENPAWCFZCTHZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.10
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine (PubChem CID 168581212) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
PubChem CID168581212
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
SMILESFc1cnc2ccc(NCc3cnc(Cl)s3)cc2c1
InChIInChI=1S/C13H9ClFN3S/c14-13-18-7-11(19-13)6-16-10-1-2-12-8(4-10)3-9(15)5-17-12/h1-5,7,16H,6H2
InChIKeyUIENPAWCFZCTHZ-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2H-indazol-5-amine
CID 168583171
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
CID 168581849
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
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-fluoro-5-(trifluoromethyl)aniline
CID 168582780
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[(3-fluorophenyl)methoxy]aniline
CID 168584076
3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2,2-difluoroethoxy)aniline
CID 168581259
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine (CID 168581212) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine is Fc1cnc2ccc(NCc3cnc(Cl)s3)cc2c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine?
The InChIKey is UIENPAWCFZCTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c14-13-18-7-11(19-13)6-16-10-1-2-12-8(4-10)3-9(15)5-17-12/h1-5,7,16H,6H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine has a molecular weight of 293.75 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine is sourced from PubChem (CID 168581212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).