6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine

C21H17N3OS — CID 57395157

IUPAC6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccc(Oc4ccccc4)cc3)sc2c1
InChIInChI=1S/C21H17N3OS/c1-15-7-12-19-20(13-15)26-21(23-19)24-22-14-16-8-10-18(11-9-16)25-17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24)/b22-14-
InChIKeyNFTLQGMKILMMDO-HMAPJEAMSA-N
MW359.45 g/mol
LogP5.84
Rot. Bonds5

About 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine

6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 57395157) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
PubChem CID57395157
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N/N=C\c3ccc(Oc4ccccc4)cc3)sc2c1
InChIInChI=1S/C21H17N3OS/c1-15-7-12-19-20(13-15)26-21(23-19)24-22-14-16-8-10-18(11-9-16)25-17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24)/b22-14-
InChIKeyNFTLQGMKILMMDO-HMAPJEAMSA-N
XLogP5.84
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.84
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-[(4-chlorophenyl)methylideneamino]-6-methyl-1,3-benzothiazol-2-amine
CID 91970272
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3136850
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 9017119
3-(4-methylphenyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 5134590
2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
CID 4143031
6-methyl-2-phenoxy-1,3-benzothiazole
CID 44549864
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 6301261
ethyl 2-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 6062885
2-ethoxy-6-[[(6-methyl-1,3-benzothiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136700742
N-[(3-bromo-4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3531137
N-[(E)-(4-bromophenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 44944060
N-[(E)-[3,5-dimethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 6868180

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine (CID 57395157) is 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine is Cc1ccc2nc(N/N=C\c3ccc(Oc4ccccc4)cc3)sc2c1.
What is the InChIKey of 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is NFTLQGMKILMMDO-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15-7-12-19-20(13-15)26-21(23-19)24-22-14-16-8-10-18(11-9-16)25-17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24)/b22-14-.
What are the key properties of 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine?
6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 359.45 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(4-phenoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 57395157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).