N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine

C12H13N3O2S — CID 20999363

IUPACN-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc3ccccc23)C1
InChIInChI=1S/C12H13N3O2S/c16-18(17)6-5-9(7-18)15-12-10-3-1-2-4-11(10)13-8-14-12/h1-4,8-9H,5-7H2,(H,13,14,15)
InChIKeyNLRRDTVRKYDVNU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.23
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine

N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine (PubChem CID 20999363) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
PubChem CID20999363
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
SMILESO=S1(=O)CCC(Nc2ncnc3ccccc23)C1
InChIInChI=1S/C12H13N3O2S/c16-18(17)6-5-9(7-18)15-12-10-3-1-2-4-11(10)13-8-14-12/h1-4,8-9H,5-7H2,(H,13,14,15)
InChIKeyNLRRDTVRKYDVNU-UHFFFAOYSA-N
XLogP1.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
CID 110436099
4-N-(1,1-dioxothian-3-yl)quinazoline-4,6-diamine
CID 64588325
4-N-(1,1-dioxothiolan-3-yl)quinoline-3,4-diamine
CID 103962744
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-(1,1-dioxothiolan-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874971
1,1-dioxo-N-(2-quinazolin-4-ylsulfanylethyl)thiolan-3-amine
CID 62576998
N-(1,1-dioxothian-3-yl)-6-methylsulfonylquinazolin-4-amine
CID 154740242
4-(quinazolin-4-ylamino)cyclohexane-1-carboxamide
CID 61043396
N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
CID 40952403
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-(3-ethoxycyclobutyl)quinazolin-4-amine
CID 102609150
N-[4-(2-aminoethyl)cyclohexyl]quinazolin-4-amine
CID 143957231

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine (CID 20999363) is N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine is O=S1(=O)CCC(Nc2ncnc3ccccc23)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine?
The InChIKey is NLRRDTVRKYDVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-18(17)6-5-9(7-18)15-12-10-3-1-2-4-11(10)13-8-14-12/h1-4,8-9H,5-7H2,(H,13,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine?
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine has a molecular weight of 263.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine is sourced from PubChem (CID 20999363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).