N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

C17H18N4O2S2 — CID 1176215

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)s1
InChIInChI=1S/C17H18N4O2S2/c1-4-15-20-21-17(25-15)19-14(22)9-24-16-10(2)7-11-5-6-12(23-3)8-13(11)18-16/h5-8H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyCSYSRBQCCRLRNU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.70
Rot. Bonds6

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1176215) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1176215
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1nnc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)s1
InChIInChI=1S/C17H18N4O2S2/c1-4-15-20-21-17(25-15)19-14(22)9-24-16-10(2)7-11-5-6-12(23-3)8-13(11)18-16/h5-8H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyCSYSRBQCCRLRNU-UHFFFAOYSA-N
XLogP3.70
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 1176215) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is CCc1nnc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CSYSRBQCCRLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-4-15-20-21-17(25-15)19-14(22)9-24-16-10(2)7-11-5-6-12(23-3)8-13(11)18-16/h5-8H,4,9H2,1-3H3,(H,19,21,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 374.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1176215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).