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

C16H17N5S — CID 118736991

IUPACN-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCCNC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H17N5S/c1-2-12(7-17-5-1)21-16-13-6-11(15-8-18-10-22-15)3-4-14(13)19-9-20-16/h3-4,6,8-10,12,17H,1-2,5,7H2,(H,19,20,21)
InChIKeyBKBGRHJKORKCFW-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.92
Rot. Bonds3

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

N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736991) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736991
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCCNC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H17N5S/c1-2-12(7-17-5-1)21-16-13-6-11(15-8-18-10-22-15)3-4-14(13)19-9-20-16/h3-4,6,8-10,12,17H,1-2,5,7H2,(H,19,20,21)
InChIKeyBKBGRHJKORKCFW-UHFFFAOYSA-N
XLogP2.92
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Timegadine
CID 68902
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
CID 14742548
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
N-(5-(trifluoromethyl)pyridin-2-yl)-7-(5-(trifluoromethyl)thiazol-4-yl)-1,8-naphthyridin-4-amine
CID 11510499

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736991) is N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is c1nc(NC2CCCNC2)c2cc(-c3cncs3)ccc2n1.
What is the InChIKey of N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is BKBGRHJKORKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-12(7-17-5-1)21-16-13-6-11(15-8-18-10-22-15)3-4-14(13)19-9-20-16/h3-4,6,8-10,12,17H,1-2,5,7H2,(H,19,20,21).
What are the key properties of N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 311.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).