N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide

C12H11N3O2S — CID 52563408

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C12H11N3O2S/c1-8-10(2-4-17-8)11(16)13-6-9-7-15-3-5-18-12(15)14-9/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyCPFRYWQOWFCGBW-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.23
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide (PubChem CID 52563408) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide
PubChem CID52563408
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C12H11N3O2S/c1-8-10(2-4-17-8)11(16)13-6-9-7-15-3-5-18-12(15)14-9/h2-5,7H,6H2,1H3,(H,13,16)
InChIKeyCPFRYWQOWFCGBW-UHFFFAOYSA-N
XLogP2.23
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide (CID 52563408) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide?
The InChIKey is CPFRYWQOWFCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8-10(2-4-17-8)11(16)13-6-9-7-15-3-5-18-12(15)14-9/h2-5,7H,6H2,1H3,(H,13,16).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 52563408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).