N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H19N5O2S — CID 56716700

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOCC(NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccnn1C
InChIInChI=1S/C19H19N5O2S/c1-23-16(8-9-20-23)15(11-26-2)21-18(25)17-12-27-19-22-14(10-24(17)19)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,21,25)
InChIKeyVXQHVSHDOLLCSQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.91
Rot. Bonds6

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56716700) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56716700
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOCC(NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccnn1C
InChIInChI=1S/C19H19N5O2S/c1-23-16(8-9-20-23)15(11-26-2)21-18(25)17-12-27-19-22-14(10-24(17)19)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,21,25)
InChIKeyVXQHVSHDOLLCSQ-UHFFFAOYSA-N
XLogP2.91
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56716700) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is COCC(NC(=O)c1csc2nc(-c3ccccc3)cn12)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is VXQHVSHDOLLCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23-16(8-9-20-23)15(11-26-2)21-18(25)17-12-27-19-22-14(10-24(17)19)13-6-4-3-5-7-13/h3-10,12,15H,11H2,1-2H3,(H,21,25).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56716700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).