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

C20H21N3OS — CID 168577150

IUPAC4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOCc1ccccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H21N3OS/c1-2-12-24-14-18-11-7-6-10-17(18)13-21-23-20-22-19(15-25-20)16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,23)
InChIKeyOJBUWEAMYHTAHU-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.18
Rot. Bonds8

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

4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168577150) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168577150
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCCCOCc1ccccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H21N3OS/c1-2-12-24-14-18-11-7-6-10-17(18)13-21-23-20-22-19(15-25-20)16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,23)
InChIKeyOJBUWEAMYHTAHU-UHFFFAOYSA-N
XLogP5.18
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577031
N-[[4-(pentoxymethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577123
N-[(2-methyl-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577174
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
N-[(Z)-(4-pentoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42336780
N-[(2-butoxy-3,5-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577219
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 42337314

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168577150) is 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is CCCOCc1ccccc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is OJBUWEAMYHTAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-2-12-24-14-18-11-7-6-10-17(18)13-21-23-20-22-19(15-25-20)16-8-4-3-5-9-16/h3-11,13,15H,2,12,14H2,1H3,(H,22,23).
What are the key properties of 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 351.48 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168577150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).