N-(1-oxothian-4-yl)quinazolin-4-amine

C13H15N3OS — CID 104576518

IUPACN-(1-oxothian-4-yl)quinazolin-4-amine
SMILESO=S1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C13H15N3OS/c17-18-7-5-10(6-8-18)16-13-11-3-1-2-4-12(11)14-9-15-13/h1-4,9-10H,5-8H2,(H,14,15,16)
InChIKeyUXFXXMDRFKTISN-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.95
Rot. Bonds2

About N-(1-oxothian-4-yl)quinazolin-4-amine

N-(1-oxothian-4-yl)quinazolin-4-amine (PubChem CID 104576518) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)quinazolin-4-amine
PubChem CID104576518
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(1-oxothian-4-yl)quinazolin-4-amine
SMILESO=S1CCC(Nc2ncnc3ccccc23)CC1
InChIInChI=1S/C13H15N3OS/c17-18-7-5-10(6-8-18)16-13-11-3-1-2-4-12(11)14-9-15-13/h1-4,9-10H,5-8H2,(H,14,15,16)
InChIKeyUXFXXMDRFKTISN-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-oxothian-4-yl)quinolin-4-amine
CID 113480106
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
N-(3-tricyclo[3.2.1.02,4]octanyl)quinazolin-4-amine
CID 103765143
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
1-[(1-oxothian-4-yl)amino]isoquinolin-7-ol
CID 106539617
N-(2,4-dimethylcyclohexyl)quinazolin-4-amine
CID 63994918

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)quinazolin-4-amine?
The IUPAC name of N-(1-oxothian-4-yl)quinazolin-4-amine (CID 104576518) is N-(1-oxothian-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-oxothian-4-yl)quinazolin-4-amine is O=S1CCC(Nc2ncnc3ccccc23)CC1.
What is the InChIKey of N-(1-oxothian-4-yl)quinazolin-4-amine?
The InChIKey is UXFXXMDRFKTISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c17-18-7-5-10(6-8-18)16-13-11-3-1-2-4-12(11)14-9-15-13/h1-4,9-10H,5-8H2,(H,14,15,16).
What are the key properties of N-(1-oxothian-4-yl)quinazolin-4-amine?
N-(1-oxothian-4-yl)quinazolin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)quinazolin-4-amine is sourced from PubChem (CID 104576518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).