N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine

C20H15N3S — CID 40562842

IUPACN-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1cccc2ccccc12
InChIInChI=1S/C20H15N3S/c1-2-8-16(9-3-1)19-14-24-20(22-19)23-21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,22,23)
InChIKeyRLLRNXCYJQZOBX-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.41
Rot. Bonds4

About N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine

N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 40562842) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
PubChem CID40562842
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC NameN-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESC(=NNc1nc(-c2ccccc2)cs1)c1cccc2ccccc12
InChIInChI=1S/C20H15N3S/c1-2-8-16(9-3-1)19-14-24-20(22-19)23-21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,22,23)
InChIKeyRLLRNXCYJQZOBX-UHFFFAOYSA-N
XLogP5.41
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
N-[[2-(bromomethyl)-3-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577611
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577257
N-[(E)-(1-methylindol-3-yl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 74220639
4-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168576801
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
N-[[2-(3,4-dichlorophenyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577753
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
N-[[2-[[bis(2-methylpropyl)amino]methyl]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577031

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine (CID 40562842) is N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine is C(=NNc1nc(-c2ccccc2)cs1)c1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is RLLRNXCYJQZOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c1-2-8-16(9-3-1)19-14-24-20(22-19)23-21-13-17-11-6-10-15-7-4-5-12-18(15)17/h1-14H,(H,22,23).
What are the key properties of N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine?
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 329.43 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 40562842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).