N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C18H19N3OS2 — CID 31207857

IUPACN-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CSc2cc(C)c3ccccc3n2)cs1
InChIInChI=1S/C18H19N3OS2/c1-4-21(13(3)22)18-19-14(11-24-18)10-23-17-9-12(2)15-7-5-6-8-16(15)20-17/h5-9,11H,4,10H2,1-3H3
InChIKeyRNIUNGPDKBUVAX-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.66
Rot. Bonds5

About N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 31207857) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID31207857
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CSc2cc(C)c3ccccc3n2)cs1
InChIInChI=1S/C18H19N3OS2/c1-4-21(13(3)22)18-19-14(11-24-18)10-23-17-9-12(2)15-7-5-6-8-16(15)20-17/h5-9,11H,4,10H2,1-3H3
InChIKeyRNIUNGPDKBUVAX-UHFFFAOYSA-N
XLogP4.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 31207857) is N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CSc2cc(C)c3ccccc3n2)cs1.
What is the InChIKey of N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RNIUNGPDKBUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-4-21(13(3)22)18-19-14(11-24-18)10-23-17-9-12(2)15-7-5-6-8-16(15)20-17/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 31207857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).