2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C15H15N5OS — CID 110446261

IUPAC2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(CNc1ncnc2ccccc12)NCCc1nccs1
InChIInChI=1S/C15H15N5OS/c21-13(16-6-5-14-17-7-8-22-14)9-18-15-11-3-1-2-4-12(11)19-10-20-15/h1-4,7-8,10H,5-6,9H2,(H,16,21)(H,18,19,20)
InChIKeyBWFOPSBHQBMEHU-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.86
Rot. Bonds6

About 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 110446261) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID110446261
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESO=C(CNc1ncnc2ccccc12)NCCc1nccs1
InChIInChI=1S/C15H15N5OS/c21-13(16-6-5-14-17-7-8-22-14)9-18-15-11-3-1-2-4-12(11)19-10-20-15/h1-4,7-8,10H,5-6,9H2,(H,16,21)(H,18,19,20)
InChIKeyBWFOPSBHQBMEHU-UHFFFAOYSA-N
XLogP1.86
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 110446261) is 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is O=C(CNc1ncnc2ccccc12)NCCc1nccs1.
What is the InChIKey of 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is BWFOPSBHQBMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-13(16-6-5-14-17-7-8-22-14)9-18-15-11-3-1-2-4-12(11)19-10-20-15/h1-4,7-8,10H,5-6,9H2,(H,16,21)(H,18,19,20).
What are the key properties of 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 313.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 110446261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).