6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine

C18H18N6S — CID 44968251

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
SMILESCc1nc(C)c(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)s1
InChIInChI=1S/C18H18N6S/c1-11-17(25-12(2)24-11)13-3-4-16-15(7-13)18(23-10-22-16)20-6-5-14-8-19-9-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyURLBWLNNFNKJAI-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.75
Rot. Bonds5

About 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine

6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine (PubChem CID 44968251) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
PubChem CID44968251
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine
SMILESCc1nc(C)c(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)s1
InChIInChI=1S/C18H18N6S/c1-11-17(25-12(2)24-11)13-3-4-16-15(7-13)18(23-10-22-16)20-6-5-14-8-19-9-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,20,22,23)
InChIKeyURLBWLNNFNKJAI-UHFFFAOYSA-N
XLogP3.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine (CID 44968251) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine is Cc1nc(C)c(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
The InChIKey is URLBWLNNFNKJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-11-17(25-12(2)24-11)13-3-4-16-15(7-13)18(23-10-22-16)20-6-5-14-8-19-9-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,20,22,23).
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine has a molecular weight of 350.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 44968251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).