N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

C17H15N5OS2 — CID 40766768

IUPACN-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)Nc2sccc2C#N)nc2ccccc12
InChIInChI=1S/C17H15N5OS2/c1-2-19-15-12-5-3-4-6-13(12)20-17(22-15)25-10-14(23)21-16-11(9-18)7-8-24-16/h3-8H,2,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyRFGUKPWPADQYHU-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.73
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide

N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (PubChem CID 40766768) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
PubChem CID40766768
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
SMILESCCNc1nc(SCC(=O)Nc2sccc2C#N)nc2ccccc12
InChIInChI=1S/C17H15N5OS2/c1-2-19-15-12-5-3-4-6-13(12)20-17(22-15)25-10-14(23)21-16-11(9-18)7-8-24-16/h3-8H,2,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyRFGUKPWPADQYHU-UHFFFAOYSA-N
XLogP3.73
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
N-(1-cyanocyclohexyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108470
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
N-(3-cyanothiophen-2-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42119297
N-(3-cyanothiophen-2-yl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35972993
(2S)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41083741
N-[4-(diethylsulfamoyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27098326
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 27108318
N-(3-cyanothiophen-2-yl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7803359
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 17407158
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 17407156
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide (CID 40766768) is N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is CCNc1nc(SCC(=O)Nc2sccc2C#N)nc2ccccc12.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
The InChIKey is RFGUKPWPADQYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-2-19-15-12-5-3-4-6-13(12)20-17(22-15)25-10-14(23)21-16-11(9-18)7-8-24-16/h3-8H,2,10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide?
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 369.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 40766768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).