N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride

C19H19Cl2N3OS — CID 163326146

IUPACN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc1C.Cl
InChIInChI=1S/C19H18ClN3OS.ClH/c1-13-14(2)25-19(22-13)23-21-11-16-5-3-4-6-18(16)24-12-15-7-9-17(20)10-8-15;/h3-11H,12H2,1-2H3,(H,22,23);1H/b21-11+;
InChIKeyVRRFIDCCTQLPQN-YUZSSDIYSA-N
MW408.35 g/mol
LogP5.86
Rot. Bonds6

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

N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 163326146) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
PubChem CID163326146
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC NameN-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc1C.Cl
InChIInChI=1S/C19H18ClN3OS.ClH/c1-13-14(2)25-19(22-13)23-21-11-16-5-3-4-6-18(16)24-12-15-7-9-17(20)10-8-15;/h3-11H,12H2,1-2H3,(H,22,23);1H/b21-11+;
InChIKeyVRRFIDCCTQLPQN-YUZSSDIYSA-N
XLogP5.86
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 55.86
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

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 171151073
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 7228787
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
5-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966470
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27267620
2-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135588614
N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 42337280
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618103
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3801168
4-(4-methylphenyl)-5-phenyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 94848957
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride (CID 163326146) is N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride is Cc1nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)sc1C.Cl.
What is the InChIKey of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is VRRFIDCCTQLPQN-YUZSSDIYSA-N. The full InChI is InChI=1S/C19H18ClN3OS.ClH/c1-13-14(2)25-19(22-13)23-21-11-16-5-3-4-6-18(16)24-12-15-7-9-17(20)10-8-15;/h3-11H,12H2,1-2H3,(H,22,23);1H/b21-11+;.
What are the key properties of N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride?
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 408.35 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 163326146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).