N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

C19H19N5O2S — CID 652183

IUPACN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12
InChIInChI=1S/C19H19N5O2S/c1-12(2)17-21-15-8-4-3-7-14(15)18-22-23-19(24(17)18)27-11-16(25)20-10-13-6-5-9-26-13/h3-9,12H,10-11H2,1-2H3,(H,20,25)
InChIKeySIZSEMXMIVFLLW-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.40
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (PubChem CID 652183) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
PubChem CID652183
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12
InChIInChI=1S/C19H19N5O2S/c1-12(2)17-21-15-8-4-3-7-14(15)18-22-23-19(24(17)18)27-11-16(25)20-10-13-6-5-9-26-13/h3-9,12H,10-11H2,1-2H3,(H,20,25)
InChIKeySIZSEMXMIVFLLW-UHFFFAOYSA-N
XLogP3.40
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(9-Ethyl-9H-carbazol-3-YL)-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 1890961
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
2-(5-Furan-2-yl-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 855346
2-[4-(2,5-Dimethyl-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-methyl-acetamide
CID 855348
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 934278
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495
N-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 1459562
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
CID 664852
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687
2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 1094854
Acetamide, 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-N-(2-furanylmethyl)-
CID 2302362

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide (CID 652183) is N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
The InChIKey is SIZSEMXMIVFLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12(2)17-21-15-8-4-3-7-14(15)18-22-23-19(24(17)18)27-11-16(25)20-10-13-6-5-9-26-13/h3-9,12H,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 652183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).