N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C20H20N2O3S — CID 648656

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h3,5-9,11,13,16H,2,4,10,12H2,1H3
InChIKeyCDBYZAGEHJNVJG-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.54
Rot. Bonds5

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 648656) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID648656
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h3,5-9,11,13,16H,2,4,10,12H2,1H3
InChIKeyCDBYZAGEHJNVJG-UHFFFAOYSA-N
XLogP4.54
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 648656) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is Cc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is CDBYZAGEHJNVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-14-6-8-15(9-7-14)17-13-26-20(21-17)22(12-16-4-2-10-24-16)19(23)18-5-3-11-25-18/h3,5-9,11,13,16H,2,4,10,12H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).