2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride

C15H20ClN3OS — CID 76964744

IUPAC2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc([C@H]2CN3CCSC3=N2)c1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10(2)14(19)16-12-5-3-4-11(8-12)13-9-18-6-7-20-15(18)17-13;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,19);1H/t13-;/m1./s1
InChIKeyFXYKKPLSQTYWRY-BTQNPOSSSA-N
MW325.87 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride

2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride (PubChem CID 76964744) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride
PubChem CID76964744
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride
SMILESCC(C)C(=O)Nc1cccc([C@H]2CN3CCSC3=N2)c1.Cl
InChIInChI=1S/C15H19N3OS.ClH/c1-10(2)14(19)16-12-5-3-4-11(8-12)13-9-18-6-7-20-15(18)17-13;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,19);1H/t13-;/m1./s1
InChIKeyFXYKKPLSQTYWRY-BTQNPOSSSA-N
XLogP3.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride (CID 76964744) is 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride is CC(C)C(=O)Nc1cccc([C@H]2CN3CCSC3=N2)c1.Cl.
What is the InChIKey of 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride?
The InChIKey is FXYKKPLSQTYWRY-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H19N3OS.ClH/c1-10(2)14(19)16-12-5-3-4-11(8-12)13-9-18-6-7-20-15(18)17-13;/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,16,19);1H/t13-;/m1./s1.
What are the key properties of 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride?
2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride has a molecular weight of 325.87 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(6S)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 76964744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).