N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C13H16N2OS — CID 114263140

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccc3c(c2)COC3)=N1
InChIInChI=1S/C13H16N2OS/c1-13(2)8-17-12(15-13)14-11-4-3-9-6-16-7-10(9)5-11/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyYSANBYIFJRYLOM-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds1

About N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 114263140) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID114263140
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccc3c(c2)COC3)=N1
InChIInChI=1S/C13H16N2OS/c1-13(2)8-17-12(15-13)14-11-4-3-9-6-16-7-10(9)5-11/h3-5H,6-8H2,1-2H3,(H,14,15)
InChIKeyYSANBYIFJRYLOM-UHFFFAOYSA-N
XLogP3.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
CID 107589096
N-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549228
N-(4-butylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2496498
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 54965185
N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydro-2-benzofuran-5-amine
CID 144987166
4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 114262820
3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine
CID 114263213
N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 62327894
N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
CID 115922539
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 116700609
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 114263140) is N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2ccc3c(c2)COC3)=N1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is YSANBYIFJRYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2)8-17-12(15-13)14-11-4-3-9-6-16-7-10(9)5-11/h3-5H,6-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 114263140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).