N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine

C16H11ClF2N2OS2 — CID 134602275

IUPACN-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine
SMILESFc1ccccc1COc1cc(F)c(SNc2cscn2)cc1Cl
InChIInChI=1S/C16H11ClF2N2OS2/c17-11-5-15(24-21-16-8-23-9-20-16)13(19)6-14(11)22-7-10-3-1-2-4-12(10)18/h1-6,8-9,21H,7H2
InChIKeyMNLVAUBZCWMCJQ-UHFFFAOYSA-N
MW384.86 g/mol
LogP5.77
Rot. Bonds6

About N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine

N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine (PubChem CID 134602275) has the molecular formula C16H11ClF2N2OS2 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine
PubChem CID134602275
Molecular FormulaC16H11ClF2N2OS2
Molecular Weight384.86 g/mol
Exact Mass384.00
IUPAC NameN-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine
SMILESFc1ccccc1COc1cc(F)c(SNc2cscn2)cc1Cl
InChIInChI=1S/C16H11ClF2N2OS2/c17-11-5-15(24-21-16-8-23-9-20-16)13(19)6-14(11)22-7-10-3-1-2-4-12(10)18/h1-6,8-9,21H,7H2
InChIKeyMNLVAUBZCWMCJQ-UHFFFAOYSA-N
XLogP5.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(benzylamino)-5-chloro-2-fluorophenyl]sulfanyl-1,3-thiazol-4-amine
CID 134601976
5-chloro-2-fluoro-4-[3-(2-fluorophenyl)propoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175233055
N-[5-chloro-4-[[6-(3,4-difluorophenyl)-4-pyridin-3-yl-3-pyridinyl]oxy]-2-fluorophenyl]sulfanyl-1,3-thiazol-4-amine
CID 155085452
N-[5-chloro-2-fluoro-4-[[2-fluoro-5-(piperidin-1-ylmethyl)phenyl]methylamino]phenyl]sulfanyl-1,3-thiazol-4-amine
CID 134602456
N-[5-chloro-4-[(2,6-difluorophenyl)methoxy]-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134602301
N-[5-chloro-2-fluoro-4-(1-isoquinolin-8-ylethylamino)phenyl]sulfanyl-1,3-thiazol-4-amine
CID 134602131
N-[5-chloro-2-fluoro-4-[[6-(3-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-1,2-dihydropyridin-3-yl]oxy]phenyl]sulfanyl-1,3-thiazol-4-amine
CID 155085599
2-[3-[5-chloro-2-[2,5-difluoro-4-(1,3-thiazol-4-ylamino)sulfanylphenoxy]phenyl]propylamino]acetic acid
CID 135160441
N-[5-chloro-2-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-8-ylmethoxy)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 145181835
5-chloro-4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91687279
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586086

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine?
The IUPAC name of N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine (CID 134602275) is N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine.
What is the SMILES notation for N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine?
The canonical SMILES for N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine is Fc1ccccc1COc1cc(F)c(SNc2cscn2)cc1Cl.
What is the InChIKey of N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine?
The InChIKey is MNLVAUBZCWMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N2OS2/c17-11-5-15(24-21-16-8-23-9-20-16)13(19)6-14(11)22-7-10-3-1-2-4-12(10)18/h1-6,8-9,21H,7H2.
What are the key properties of N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine?
N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine has a molecular weight of 384.86 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]sulfanyl-1,3-thiazol-4-amine is sourced from PubChem (CID 134602275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).