N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine

C16H15N3O2S2 — CID 40952403

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
SMILESO=S1(=O)CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C16H15N3O2S2/c20-23(21)8-6-12(10-23)17-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-22-9-11/h1-5,7,9,12H,6,8,10H2,(H,17,18,19)/t12-/m0/s1
InChIKeyDTYXGPJPXUNFDL-LBPRGKRZSA-N
MW345.45 g/mol
LogP2.96
Rot. Bonds3

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine

N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 40952403) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
PubChem CID40952403
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine
SMILESO=S1(=O)CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C16H15N3O2S2/c20-23(21)8-6-12(10-23)17-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-22-9-11/h1-5,7,9,12H,6,8,10H2,(H,17,18,19)/t12-/m0/s1
InChIKeyDTYXGPJPXUNFDL-LBPRGKRZSA-N
XLogP2.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
CID 133338088
N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
[(3R,4R)-4-[(2-thiophen-3-ylquinazolin-4-yl)amino]oxolan-3-yl]methanol
CID 166260662
N-[1-(oxolan-2-yl)ethyl]-2-thiophen-3-ylquinazolin-4-amine
CID 42950794
6-chloro-N-(1,1-dioxothiolan-3-yl)-5-ethyl-2-phenylpyrimidin-4-amine
CID 133388376
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
N-[(3R)-1,1-dioxothiolan-3-yl]-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 41138262
methyl 3-[(2-thiophen-3-ylquinazolin-4-yl)amino]propanoate
CID 71902211
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880169
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
CID 20626480
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine (CID 40952403) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine is O=S1(=O)CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc23)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is DTYXGPJPXUNFDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-23(21)8-6-12(10-23)17-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-22-9-11/h1-5,7,9,12H,6,8,10H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 40952403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).