2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine

C16H16N2OS — CID 115466125

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CCCc4occc43)cc2s1
InChIInChI=1S/C16H16N2OS/c1-10-17-14-6-5-11(9-16(14)20-10)18-13-3-2-4-15-12(13)7-8-19-15/h5-9,13,18H,2-4H2,1H3
InChIKeyWVYJEIZAMKTSOK-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.69
Rot. Bonds2

About 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine

2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine (PubChem CID 115466125) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
PubChem CID115466125
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CCCc4occc43)cc2s1
InChIInChI=1S/C16H16N2OS/c1-10-17-14-6-5-11(9-16(14)20-10)18-13-3-2-4-15-12(13)7-8-19-15/h5-9,13,18H,2-4H2,1H3
InChIKeyWVYJEIZAMKTSOK-UHFFFAOYSA-N
XLogP4.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115465942
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 64541204
N-(3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465919
3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 113315131
2-methyl-5-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazole-5,6-diamine
CID 62841665
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
CID 64751144
N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315138
N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
CID 115466121
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 106954243
N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
CID 65084135
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine (CID 115466125) is 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC3CCCc4occc43)cc2s1.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine?
The InChIKey is WVYJEIZAMKTSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-10-17-14-6-5-11(9-16(14)20-10)18-13-3-2-4-15-12(13)7-8-19-15/h5-9,13,18H,2-4H2,1H3.
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine?
2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine has a molecular weight of 284.38 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 115466125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).