N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C16H16N4O2S2 — CID 118736993

IUPACN-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C16H16N4O2S2/c21-24(22)5-3-12(4-6-24)20-16-13-7-11(15-8-17-10-23-15)1-2-14(13)18-9-19-16/h1-2,7-10,12H,3-6H2,(H,18,19,20)
InChIKeyHNDMAVYDWZHBTK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.74
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736993) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736993
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC NameN-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C16H16N4O2S2/c21-24(22)5-3-12(4-6-24)20-16-13-7-11(15-8-17-10-23-15)1-2-14(13)18-9-19-16/h1-2,7-10,12H,3-6H2,(H,18,19,20)
InChIKeyHNDMAVYDWZHBTK-UHFFFAOYSA-N
XLogP2.74
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Timegadine
CID 68902
Nvs-cecr2-1
CID 117072550
6-Thiazolylquinazoline 3
CID 5329477
6-Thiazolylquinazoline 1
CID 5329475
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1442829
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
5-phenyl-N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 68204898
N-isopropyl-6-(thiazol-5-yl)quinazolin-4-amine
CID 118736868
N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736869
2-[[6-(5-Thiazolyl)-4-quinazolinyl]amino]ethanol
CID 118736870

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736993) is N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is O=S1(=O)CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is HNDMAVYDWZHBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c21-24(22)5-3-12(4-6-24)20-16-13-7-11(15-8-17-10-23-15)1-2-14(13)18-9-19-16/h1-2,7-10,12H,3-6H2,(H,18,19,20).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).