N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine

C17H12ClN3S — CID 168580256

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
SMILESClc1ncc(CNc2cccc3cc4ccccc4nc23)s1
InChIInChI=1S/C17H12ClN3S/c18-17-20-10-13(22-17)9-19-15-7-3-5-12-8-11-4-1-2-6-14(11)21-16(12)15/h1-8,10,19H,9H2
InChIKeyVLBNPWPAJPNTSD-UHFFFAOYSA-N
MW325.82 g/mol
LogP5.11
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine (PubChem CID 168580256) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
PubChem CID168580256
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
SMILESClc1ncc(CNc2cccc3cc4ccccc4nc23)s1
InChIInChI=1S/C17H12ClN3S/c18-17-20-10-13(22-17)9-19-15-7-3-5-12-8-11-4-1-2-6-14(11)21-16(12)15/h1-8,10,19H,9H2
InChIKeyVLBNPWPAJPNTSD-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
CID 168581849
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylphenoxy)aniline
CID 168583963
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
2-(1,3-benzothiazol-2-ylsulfanyl)-5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168580486
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methylphenol
CID 168580519
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine (CID 168580256) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine is Clc1ncc(CNc2cccc3cc4ccccc4nc23)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine?
The InChIKey is VLBNPWPAJPNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-17-20-10-13(22-17)9-19-15-7-3-5-12-8-11-4-1-2-6-14(11)21-16(12)15/h1-8,10,19H,9H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine has a molecular weight of 325.82 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine is sourced from PubChem (CID 168580256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).