N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine

C13H15N3OS — CID 107234323

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
SMILESCC1(C)Cc2cccc(CNc3cnns3)c2O1
InChIInChI=1S/C13H15N3OS/c1-13(2)6-9-4-3-5-10(12(9)17-13)7-14-11-8-15-16-18-11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyGYJJKWVPEYHPGT-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.86
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine (PubChem CID 107234323) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
PubChem CID107234323
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
SMILESCC1(C)Cc2cccc(CNc3cnns3)c2O1
InChIInChI=1S/C13H15N3OS/c1-13(2)6-9-4-3-5-10(12(9)17-13)7-14-11-8-15-16-18-11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyGYJJKWVPEYHPGT-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
CID 107234328
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrazin-2-amine
CID 126782877
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-4-methylaniline
CID 64509256
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-6-fluoropyridin-2-amine
CID 116519991
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine
CID 117313350
3-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-5-methylaniline
CID 107582306
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-2-methylphenol
CID 107700263
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-iodo-4-methylaniline
CID 64508368
4-bromo-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylaniline
CID 64509027

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine (CID 107234323) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine is CC1(C)Cc2cccc(CNc3cnns3)c2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine?
The InChIKey is GYJJKWVPEYHPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(2)6-9-4-3-5-10(12(9)17-13)7-14-11-8-15-16-18-11/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine has a molecular weight of 261.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107234323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).