N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine

C16H12N4S2 — CID 49430846

IUPACN-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESc1ccc2c(NCc3cscn3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C16H12N4S2/c1-2-4-14-13(3-1)16(17-7-12-9-22-10-18-12)20-15(19-14)11-5-6-21-8-11/h1-6,8-10H,7H2,(H,17,19,20)
InChIKeyVGRNWWPZUOZECO-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.43
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine

N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 49430846) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
PubChem CID49430846
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
SMILESc1ccc2c(NCc3cscn3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C16H12N4S2/c1-2-4-14-13(3-1)16(17-7-12-9-22-10-18-12)20-15(19-14)11-5-6-21-8-11/h1-6,8-10H,7H2,(H,17,19,20)
InChIKeyVGRNWWPZUOZECO-UHFFFAOYSA-N
XLogP4.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453486
N-[4-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]acetamide
CID 24632870
N-(3-methoxypropyl)-2-thiophen-3-ylquinazolin-4-amine
CID 78805402
N',N'-dimethyl-N-(2-thiophen-3-ylquinazolin-4-yl)propane-1,3-diamine
CID 156820966
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
N-pyridin-2-yl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 133367580
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
N,N-dimethyl-2-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenoxy]acetamide
CID 60507418
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-thiophen-3-ylquinazolin-4-amine
CID 30725151
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 45261670
2-(furan-2-yl)-1-[(2-thiophen-3-ylquinazolin-4-yl)amino]propan-2-ol
CID 133323931
N-prop-2-ynyl-2-[(2-thiophen-3-ylquinazolin-4-yl)amino]acetamide
CID 49430506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine (CID 49430846) is N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine is c1ccc2c(NCc3cscn3)nc(-c3ccsc3)nc2c1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is VGRNWWPZUOZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c1-2-4-14-13(3-1)16(17-7-12-9-22-10-18-12)20-15(19-14)11-5-6-21-8-11/h1-6,8-10H,7H2,(H,17,19,20).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine?
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 49430846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).