(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H11ClF2N2OS — CID 705034

IUPAC(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1
InChIInChI=1S/C11H11ClF2N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyYAZHGLWPZPDNGA-ZETCQYMHSA-N
MW292.74 g/mol
LogP3.76
Rot. Bonds3

About (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 705034) has the molecular formula C11H11ClF2N2OS and a molecular weight of 292.74 g/mol. Its IUPAC name is (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID705034
Molecular FormulaC11H11ClF2N2OS
Molecular Weight292.74 g/mol
Exact Mass292.02
IUPAC Name(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1
InChIInChI=1S/C11H11ClF2N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyYAZHGLWPZPDNGA-ZETCQYMHSA-N
XLogP3.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 705129
5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 4658496
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065
5-cyclopropyl-N-[4-(difluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 55170640
2-N-tert-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 1279309
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153931
5,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361089
5-cyclopropyl-N-[3-(trifluoromethoxy)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296751
5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106284824
diethyl 2-[[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]iminomethyl]propanedioate
CID 75650622
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036237

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 705034) is (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is C[C@H]1CN=C(Nc2ccc(OC(F)(F)Cl)cc2)S1.
What is the InChIKey of (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YAZHGLWPZPDNGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11ClF2N2OS/c1-7-6-15-10(18-7)16-8-2-4-9(5-3-8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
(5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 292.74 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[4-[chloro(difluoro)methoxy]phenyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 705034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).