N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C18H18F2N2O3S — CID 163379956

IUPACN-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(F)F)c3c2)s1
InChIInChI=1S/C18H18F2N2O3S/c1-10-16(17(23)22-9-18(3,19)20)14-6-12(4-5-15(14)25-10)24-8-13-7-21-11(2)26-13/h4-7H,8-9H2,1-3H3,(H,22,23)
InChIKeyKLOTZAQHYCHTAH-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.47
Rot. Bonds6

About N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163379956) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163379956
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(F)F)c3c2)s1
InChIInChI=1S/C18H18F2N2O3S/c1-10-16(17(23)22-9-18(3,19)20)14-6-12(4-5-15(14)25-10)24-8-13-7-21-11(2)26-13/h4-7H,8-9H2,1-3H3,(H,22,23)
InChIKeyKLOTZAQHYCHTAH-UHFFFAOYSA-N
XLogP4.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163379956) is N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncc(COc2ccc3oc(C)c(C(=O)NCC(C)(F)F)c3c2)s1.
What is the InChIKey of N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is KLOTZAQHYCHTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-10-16(17(23)22-9-18(3,19)20)14-6-12(4-5-15(14)25-10)24-8-13-7-21-11(2)26-13/h4-7H,8-9H2,1-3H3,(H,22,23).
What are the key properties of N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).