N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide

C19H19F2N3O3S — CID 163379995

IUPACN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3nccs3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C19H19F2N3O3S/c1-11-17(18(25)24-15-4-5-22-10-19(15,20)21)13-8-12(2-3-14(13)27-11)26-9-16-23-6-7-28-16/h2-3,6-8,15,22H,4-5,9-10H2,1H3,(H,24,25)
InChIKeyNSCGIFSEBFRPRH-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.50
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide (PubChem CID 163379995) has the molecular formula C19H19F2N3O3S and a molecular weight of 407.44 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide
PubChem CID163379995
Molecular FormulaC19H19F2N3O3S
Molecular Weight407.44 g/mol
Exact Mass407.11
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3nccs3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C19H19F2N3O3S/c1-11-17(18(25)24-15-4-5-22-10-19(15,20)21)13-8-12(2-3-14(13)27-11)26-9-16-23-6-7-28-16/h2-3,6-8,15,22H,4-5,9-10H2,1H3,(H,24,25)
InChIKeyNSCGIFSEBFRPRH-UHFFFAOYSA-N
XLogP3.50
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 172195605
CID 172195605
CID 16073183
CID 16073183
CID 16073315
CID 16073315
CID 16073322
CID 16073322
CID 16073348
CID 16073348
CID 16073482
CID 16073482
CID 16073529
CID 16073529
CID 163379940
CID 163379940
CID 163379956
CID 163379956
CID 163380001
CID 163380001
CID 163380012
CID 163380012
CID 163380096
CID 163380096

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide (CID 163379995) is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3nccs3)cc2c1C(=O)NC1CCNCC1(F)F.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide?
The InChIKey is NSCGIFSEBFRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3S/c1-11-17(18(25)24-15-4-5-22-10-19(15,20)21)13-8-12(2-3-14(13)27-11)26-9-16-23-6-7-28-16/h2-3,6-8,15,22H,4-5,9-10H2,1H3,(H,24,25).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-(1,3-thiazol-2-ylmethoxy)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).