6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C19H23N5OS — CID 47054394

IUPAC6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H23N5OS/c1-11(12-5-7-14-13(9-12)6-8-16(25)21-14)20-17-23-24-10-15(19(2,3)4)22-18(24)26-17/h5,7,9-11H,6,8H2,1-4H3,(H,20,23)(H,21,25)
InChIKeyMTCIRECZUCGATQ-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.15
Rot. Bonds3

About 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 47054394) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID47054394
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C19H23N5OS/c1-11(12-5-7-14-13(9-12)6-8-16(25)21-14)20-17-23-24-10-15(19(2,3)4)22-18(24)26-17/h5,7,9-11H,6,8H2,1-4H3,(H,20,23)(H,21,25)
InChIKeyMTCIRECZUCGATQ-UHFFFAOYSA-N
XLogP4.15
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 47054394) is 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is CC(Nc1nn2cc(C(C)(C)C)nc2s1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MTCIRECZUCGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-11(12-5-7-14-13(9-12)6-8-16(25)21-14)20-17-23-24-10-15(19(2,3)4)22-18(24)26-17/h5,7,9-11H,6,8H2,1-4H3,(H,20,23)(H,21,25).
What are the key properties of 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 369.49 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 47054394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).