N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C23H20ClN3OS — CID 17384637

IUPACN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)sc1C
InChIInChI=1S/C23H20ClN3OS/c1-15-16(2)29-23(26-15)27-25-13-20-19-9-5-3-7-17(19)11-12-22(20)28-14-18-8-4-6-10-21(18)24/h3-13H,14H2,1-2H3,(H,26,27)/b25-13+
InChIKeyNRLSRFARKNWWQV-DHRITJCHSA-N
MW421.95 g/mol
LogP6.59
Rot. Bonds6

About N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 17384637) has the molecular formula C23H20ClN3OS and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID17384637
Molecular FormulaC23H20ClN3OS
Molecular Weight421.95 g/mol
Exact Mass421.10
IUPAC NameN-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)sc1C
InChIInChI=1S/C23H20ClN3OS/c1-15-16(2)29-23(26-15)27-25-13-20-19-9-5-3-7-17(19)11-12-22(20)28-14-18-8-4-6-10-21(18)24/h3-13H,14H2,1-2H3,(H,26,27)/b25-13+
InChIKeyNRLSRFARKNWWQV-DHRITJCHSA-N
XLogP6.59
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-ethylthiourea
CID 3548959
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148458
[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]urea
CID 94844311
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6310139
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 163326146
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 171151073
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 126189086
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205540
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110535551

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 17384637) is N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)sc1C.
What is the InChIKey of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is NRLSRFARKNWWQV-DHRITJCHSA-N. The full InChI is InChI=1S/C23H20ClN3OS/c1-15-16(2)29-23(26-15)27-25-13-20-19-9-5-3-7-17(19)11-12-22(20)28-14-18-8-4-6-10-21(18)24/h3-13H,14H2,1-2H3,(H,26,27)/b25-13+.
What are the key properties of N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 421.95 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 17384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).