N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine

C20H22N4S — CID 3136073

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H22N4S/c1-4-15-5-9-17(10-6-15)19-14-25-20(22-19)23-21-13-16-7-11-18(12-8-16)24(2)3/h5-14H,4H2,1-3H3,(H,22,23)
InChIKeyJHPPOVDPSCJRRS-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.88
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 3136073) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID3136073
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C20H22N4S/c1-4-15-5-9-17(10-6-15)19-14-25-20(22-19)23-21-13-16-7-11-18(12-8-16)24(2)3/h5-14H,4H2,1-3H3,(H,22,23)
InChIKeyJHPPOVDPSCJRRS-UHFFFAOYSA-N
XLogP4.88
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
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-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol;hydrobromide
CID 172885903
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
4-(3,4-dichlorophenyl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 21240106
4-(4-bromophenyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 40816768
4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 45124174
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 6229470
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 5230092
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531834
4-[(Z)-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135788950
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine (CID 3136073) is N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccc(-c2csc(NN=Cc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is JHPPOVDPSCJRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-4-15-5-9-17(10-6-15)19-14-25-20(22-19)23-21-13-16-7-11-18(12-8-16)24(2)3/h5-14H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 350.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3136073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).