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

C24H28N4OS — CID 168578832

IUPAC4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C24H28N4OS/c1-3-10-20(11-4-1)22-19-30-24(26-22)27-25-18-21-12-5-6-13-23(21)29-17-9-16-28-14-7-2-8-15-28/h1,3-6,10-13,18-19H,2,7-9,14-17H2,(H,26,27)
InChIKeyITZDFJVSBVSFMQ-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.51
Rot. Bonds9

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

4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168578832) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168578832
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1ccccc1OCCCN1CCCCC1
InChIInChI=1S/C24H28N4OS/c1-3-10-20(11-4-1)22-19-30-24(26-22)27-25-18-21-12-5-6-13-23(21)29-17-9-16-28-14-7-2-8-15-28/h1,3-6,10-13,18-19H,2,7-9,14-17H2,(H,26,27)
InChIKeyITZDFJVSBVSFMQ-UHFFFAOYSA-N
XLogP5.51
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
[2-(3-piperidin-1-ylpropoxy)phenyl]methylidenehydrazine
CID 168530377
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578363
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579175
4-phenyl-N-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577681
ethyl 2-[2-[2-[[2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624221
2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 168627059
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 94841954
6-oxo-4-phenyl-2-[2-[[2-(4-piperidin-1-ylbutoxy)phenyl]methylidene]hydrazinyl]-1H-pyrimidine-5-carbonitrile
CID 168573001

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168578832) is 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is C(=NNc1nc(-c2ccccc2)cs1)c1ccccc1OCCCN1CCCCC1.
What is the InChIKey of 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ITZDFJVSBVSFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-3-10-20(11-4-1)22-19-30-24(26-22)27-25-18-21-12-5-6-13-23(21)29-17-9-16-28-14-7-2-8-15-28/h1,3-6,10-13,18-19H,2,7-9,14-17H2,(H,26,27).
What are the key properties of 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 420.58 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168578832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).