8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine

C17H18N6S — CID 45140951

IUPAC8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
SMILESCN(C)c1ccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)cc1
InChIInChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyUURXVIAFQIYUCN-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.09
Rot. Bonds3

About 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine

8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine (PubChem CID 45140951) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine.

Molecular Properties

Compound Name8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
PubChem CID45140951
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
SMILESCN(C)c1ccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)cc1
InChIInChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22)
InChIKeyUURXVIAFQIYUCN-UHFFFAOYSA-N
XLogP3.09
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The IUPAC name of 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine (CID 45140951) is 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine.
What is the SMILES notation for 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The canonical SMILES for 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine is CN(C)c1ccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)cc1.
What is the InChIKey of 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The InChIKey is UURXVIAFQIYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-23(2)12-6-4-11(5-7-12)20-17-19-9-10-3-8-13-15(14(10)22-17)24-16(18)21-13/h4-7,9H,3,8H2,1-2H3,(H2,18,21)(H,19,20,22).
What are the key properties of 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine has a molecular weight of 338.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[4-(dimethylamino)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine is sourced from PubChem (CID 45140951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).