2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine

C19H17N5S2 — CID 133312926

IUPAC2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCCCSc3nccs3)c3ccccc3n2)c1
InChIInChI=1S/C19H17N5S2/c1-2-7-16-15(6-1)18(21-9-4-11-25-19-22-10-12-26-19)24-17(23-16)14-5-3-8-20-13-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,23,24)
InChIKeyMNCQABGKHQCZNJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.74
Rot. Bonds7

About 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine

2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine (PubChem CID 133312926) has the molecular formula C19H17N5S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine
PubChem CID133312926
Molecular FormulaC19H17N5S2
Molecular Weight379.51 g/mol
Exact Mass379.09
IUPAC Name2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine
SMILESc1cncc(-c2nc(NCCCSc3nccs3)c3ccccc3n2)c1
InChIInChI=1S/C19H17N5S2/c1-2-7-16-15(6-1)18(21-9-4-11-25-19-22-10-12-26-19)24-17(23-16)14-5-3-8-20-13-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,23,24)
InChIKeyMNCQABGKHQCZNJ-UHFFFAOYSA-N
XLogP4.74
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 30727958
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133295619
N-(pyridin-3-ylmethyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964418

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine (CID 133312926) is 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine is c1cncc(-c2nc(NCCCSc3nccs3)c3ccccc3n2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine?
The InChIKey is MNCQABGKHQCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S2/c1-2-7-16-15(6-1)18(21-9-4-11-25-19-22-10-12-26-19)24-17(23-16)14-5-3-8-20-13-14/h1-3,5-8,10,12-13H,4,9,11H2,(H,21,23,24).
What are the key properties of 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine?
2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine has a molecular weight of 379.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]quinazolin-4-amine is sourced from PubChem (CID 133312926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).