N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline

C10H8ClFN2S — CID 155676651

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline
SMILESFc1cccc(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H8ClFN2S/c11-10-14-6-9(15-10)5-13-8-3-1-2-7(12)4-8/h1-4,6,13H,5H2
InChIKeyIVUXRTDQGWWFQO-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.55
Rot. Bonds3

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline (PubChem CID 155676651) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline
PubChem CID155676651
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline
SMILESFc1cccc(NCc2cnc(Cl)s2)c1
InChIInChI=1S/C10H8ClFN2S/c11-10-14-6-9(15-10)5-13-8-3-1-2-7(12)4-8/h1-4,6,13H,5H2
InChIKeyIVUXRTDQGWWFQO-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline (CID 155676651) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline is Fc1cccc(NCc2cnc(Cl)s2)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline?
The InChIKey is IVUXRTDQGWWFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-10-14-6-9(15-10)5-13-8-3-1-2-7(12)4-8/h1-4,6,13H,5H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline has a molecular weight of 242.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 155676651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).