N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide

C13H15N3O3S — CID 134160606

IUPACN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1(O)CCCc2occc21
InChIInChI=1S/C13H15N3O3S/c1-8-11(20-16-15-8)12(17)14-7-13(18)5-2-3-10-9(13)4-6-19-10/h4,6,18H,2-3,5,7H2,1H3,(H,14,17)
InChIKeyJQXVADSPNOXPSB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.39
Rot. Bonds3

About N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 134160606) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID134160606
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1(O)CCCc2occc21
InChIInChI=1S/C13H15N3O3S/c1-8-11(20-16-15-8)12(17)14-7-13(18)5-2-3-10-9(13)4-6-19-10/h4,6,18H,2-3,5,7H2,1H3,(H,14,17)
InChIKeyJQXVADSPNOXPSB-UHFFFAOYSA-N
XLogP1.39
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]furan-2-carboxamide
CID 134161530
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]cyclopentanecarboxamide
CID 134160415
N-[(1-aminocyclobutyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 103352583
N-[[(4S)-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 164637057
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N'-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 134161806
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
5-chloro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]thiophene-2-sulfonamide
CID 134161161
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
4-(2-thiophen-3-ylethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315334
4-methyl-N-[(2R)-2-phenylpropyl]thiadiazole-5-carboxamide
CID 9089953

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 134160606) is N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1(O)CCCc2occc21.
What is the InChIKey of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JQXVADSPNOXPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-11(20-16-15-8)12(17)14-7-13(18)5-2-3-10-9(13)4-6-19-10/h4,6,18H,2-3,5,7H2,1H3,(H,14,17).
What are the key properties of N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 134160606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).