N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide

C15H17N5OS — CID 17492618

IUPACN-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C15H17N5OS/c1-15(2,3)18-12(21)8-22-14-17-13-10-6-4-5-7-11(10)16-9-20(13)19-14/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyMQWLJGHHHYTYIL-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.28
Rot. Bonds3

About N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide

N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (PubChem CID 17492618) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
PubChem CID17492618
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2c3ccccc3ncn2n1
InChIInChI=1S/C15H17N5OS/c1-15(2,3)18-12(21)8-22-14-17-13-10-6-4-5-7-11(10)16-9-20(13)19-14/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyMQWLJGHHHYTYIL-UHFFFAOYSA-N
XLogP2.28
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17475609
N-phenyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 17490808
methyl 2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetate
CID 8902218
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide
CID 44597359
3-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)propane-1,2-diol
CID 47087479
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-[(5-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-tert-butylacetamide
CID 1430983
N-tert-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16587154
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214185
N-tert-butyl-2-(2-phenyltetrazol-5-yl)sulfanylacetamide
CID 576255
N-tert-butyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2696280

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The IUPAC name of N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide (CID 17492618) is N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is CC(C)(C)NC(=O)CSc1nc2c3ccccc3ncn2n1.
What is the InChIKey of N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
The InChIKey is MQWLJGHHHYTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-15(2,3)18-12(21)8-22-14-17-13-10-6-4-5-7-11(10)16-9-20(13)19-14/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide?
N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17492618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).