N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C14H14N4S — CID 118736868

IUPACN-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18)
InChIKeyONOQEENCEVCQAR-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.57
Rot. Bonds3

About N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736868) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736868
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18)
InChIKeyONOQEENCEVCQAR-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736868) is N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is CC(C)Nc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is ONOQEENCEVCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 270.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).