N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C15H16N4S — CID 118736869

IUPACN-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC(C)(C)Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C15H16N4S/c1-15(2,3)19-14-11-6-10(13-7-16-9-20-13)4-5-12(11)17-8-18-14/h4-9H,1-3H3,(H,17,18,19)
InChIKeyMTRMZJHBKHXWEO-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.96
Rot. Bonds2

About N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736869) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736869
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC(C)(C)Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C15H16N4S/c1-15(2,3)19-14-11-6-10(13-7-16-9-20-13)4-5-12(11)17-8-18-14/h4-9H,1-3H3,(H,17,18,19)
InChIKeyMTRMZJHBKHXWEO-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736869) is N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is CC(C)(C)Nc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is MTRMZJHBKHXWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-15(2,3)19-14-11-6-10(13-7-16-9-20-13)4-5-12(11)17-8-18-14/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).