tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate

C16H16N4O2S — CID 86613780

IUPACtert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2ccc3cncnc3c2)s1
InChIInChI=1S/C16H16N4O2S/c1-16(2,3)22-15(21)20-14-18-8-13(23-14)10-4-5-11-7-17-9-19-12(11)6-10/h4-9H,1-3H3,(H,18,20,21)
InChIKeyWTSRGMMEEUORGL-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 86613780) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate
PubChem CID86613780
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Nametert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2ccc3cncnc3c2)s1
InChIInChI=1S/C16H16N4O2S/c1-16(2,3)22-15(21)20-14-18-8-13(23-14)10-4-5-11-7-17-9-19-12(11)6-10/h4-9H,1-3H3,(H,18,20,21)
InChIKeyWTSRGMMEEUORGL-UHFFFAOYSA-N
XLogP4.10
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate (CID 86613780) is tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate is CC(C)(C)OC(=O)Nc1ncc(-c2ccc3cncnc3c2)s1.
What is the InChIKey of tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is WTSRGMMEEUORGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-16(2,3)22-15(21)20-14-18-8-13(23-14)10-4-5-11-7-17-9-19-12(11)6-10/h4-9H,1-3H3,(H,18,20,21).
What are the key properties of tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 328.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-quinazolin-7-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 86613780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).