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

C17H16N6S — CID 44968260

IUPAC6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
SMILESCc1nc(C)c(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)s1
InChIInChI=1S/C17H16N6S/c1-10-16(24-11(2)23-10)12-3-4-14-13(7-12)17(22-9-21-14)20-8-15-18-5-6-19-15/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyGUNCHZFZUIJHBQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.71
Rot. Bonds4

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

6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 44968260) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
PubChem CID44968260
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine
SMILESCc1nc(C)c(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)s1
InChIInChI=1S/C17H16N6S/c1-10-16(24-11(2)23-10)12-3-4-14-13(7-12)17(22-9-21-14)20-8-15-18-5-6-19-15/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21,22)
InChIKeyGUNCHZFZUIJHBQ-UHFFFAOYSA-N
XLogP3.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.71
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-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine (CID 44968260) is 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine is Cc1nc(C)c(-c2ccc3ncnc(NCc4ncc[nH]4)c3c2)s1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
The InChIKey is GUNCHZFZUIJHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-10-16(24-11(2)23-10)12-3-4-14-13(7-12)17(22-9-21-14)20-8-15-18-5-6-19-15/h3-7,9H,8H2,1-2H3,(H,18,19)(H,20,21,22).
What are the key properties of 6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine?
6-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(1H-imidazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 3.71, 4 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-(1H-imidazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 44968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).