N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine

C19H22N4S — CID 73186987

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
SMILESCCN(CC)c1ccc(C=NN(C)c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H22N4S/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-22(3)19-21-17-8-6-7-9-18(17)24-19/h6-14H,4-5H2,1-3H3
InChIKeyHMXMSCPWJLEHFE-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.61
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine

N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 73186987) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
PubChem CID73186987
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine
SMILESCCN(CC)c1ccc(C=NN(C)c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H22N4S/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-22(3)19-21-17-8-6-7-9-18(17)24-19/h6-14H,4-5H2,1-3H3
InChIKeyHMXMSCPWJLEHFE-UHFFFAOYSA-N
XLogP4.61
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 3626172
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
N-(1,3-benzothiazol-2-yl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 7543226
N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
CID 7543215
N-[4-[4-[N-(1,3-benzothiazol-2-yl)-4-phenylanilino]phenyl]phenyl]-N-(4-phenylphenyl)-1,3-benzothiazol-2-amine
CID 176587430
(E)-4-(1,3-benzothiazol-2-yl)-5-[4-(diethylamino)phenyl]pent-4-enoate
CID 7939346
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
N,N-diethyl-4-[(1-methylbenzimidazol-2-yl)iminomethyl]aniline
CID 3337514

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine (CID 73186987) is N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine is CCN(CC)c1ccc(C=NN(C)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is HMXMSCPWJLEHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-4-23(5-2)16-12-10-15(11-13-16)14-20-22(3)19-21-17-8-6-7-9-18(17)24-19/h6-14H,4-5H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine?
N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 338.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 73186987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).