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

C13H15N5O2S — CID 70717198

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCC(NC(=O)c1cn2ccsc2n1)c1ccnn1C
InChIInChI=1S/C13H15N5O2S/c1-17-11(3-4-14-17)10(8-20-2)15-12(19)9-7-18-5-6-21-13(18)16-9/h3-7,10H,8H2,1-2H3,(H,15,19)
InChIKeyFNDQWUIKNJKILE-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.25
Rot. Bonds5

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

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70717198) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70717198
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOCC(NC(=O)c1cn2ccsc2n1)c1ccnn1C
InChIInChI=1S/C13H15N5O2S/c1-17-11(3-4-14-17)10(8-20-2)15-12(19)9-7-18-5-6-21-13(18)16-9/h3-7,10H,8H2,1-2H3,(H,15,19)
InChIKeyFNDQWUIKNJKILE-UHFFFAOYSA-N
XLogP1.25
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.25
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]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70717198) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COCC(NC(=O)c1cn2ccsc2n1)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FNDQWUIKNJKILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-17-11(3-4-14-17)10(8-20-2)15-12(19)9-7-18-5-6-21-13(18)16-9/h3-7,10H,8H2,1-2H3,(H,15,19).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.25, 5 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]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70717198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).