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

C19H18ClN3OS — CID 7228787

IUPACN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)sc1C
InChIInChI=1S/C19H18ClN3OS/c1-13-14(2)25-19(22-13)23-21-11-15-5-9-18(10-6-15)24-12-16-3-7-17(20)8-4-16/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyFFVBGHMKSUENSW-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.44
Rot. Bonds6

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

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 7228787) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID7228787
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)sc1C
InChIInChI=1S/C19H18ClN3OS/c1-13-14(2)25-19(22-13)23-21-11-15-5-9-18(10-6-15)24-12-16-3-7-17(20)8-4-16/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyFFVBGHMKSUENSW-UHFFFAOYSA-N
XLogP5.44
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.44
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-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 163326146
4,5-dimethyl-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110538404
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
3-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733038
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618498
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 110338310
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 98114884

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 7228787) is N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)sc1C.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is FFVBGHMKSUENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-13-14(2)25-19(22-13)23-21-11-15-5-9-18(10-6-15)24-12-16-3-7-17(20)8-4-16/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 371.89 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 7228787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).