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

C16H17N5S — CID 118736990

IUPACN-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCNCC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H17N5S/c1-2-14-13(7-11(1)15-8-18-10-22-15)16(20-9-19-14)21-12-3-5-17-6-4-12/h1-2,7-10,12,17H,3-6H2,(H,19,20,21)
InChIKeyQBRDVXLJTSSKHA-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.92
Rot. Bonds3

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

N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736990) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736990
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCNCC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H17N5S/c1-2-14-13(7-11(1)15-8-18-10-22-15)16(20-9-19-14)21-12-3-5-17-6-4-12/h1-2,7-10,12,17H,3-6H2,(H,19,20,21)
InChIKeyQBRDVXLJTSSKHA-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
N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
6-Methyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996237
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
({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-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1442829
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
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
N1-(7-(4-(methylthio)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10215165

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736990) is N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is c1nc(NC2CCNCC2)c2cc(-c3cncs3)ccc2n1.
What is the InChIKey of N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is QBRDVXLJTSSKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-2-14-13(7-11(1)15-8-18-10-22-15)16(20-9-19-14)21-12-3-5-17-6-4-12/h1-2,7-10,12,17H,3-6H2,(H,19,20,21).
What are the key properties of N-piperidin-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-piperidin-4-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-4-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).