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

C14H16N2OS — CID 62326333

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H16N2OS/c1-8-12(16-13(15)18-8)9-4-5-11-10(6-9)7-14(2,3)17-11/h4-6H,7H2,1-3H3,(H2,15,16)
InChIKeyPHDWOCUYSILPLW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.41
Rot. Bonds1

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

4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 62326333) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID62326333
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H16N2OS/c1-8-12(16-13(15)18-8)9-4-5-11-10(6-9)7-14(2,3)17-11/h4-6H,7H2,1-3H3,(H2,15,16)
InChIKeyPHDWOCUYSILPLW-UHFFFAOYSA-N
XLogP3.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine (CID 62326333) is 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is PHDWOCUYSILPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-12(16-13(15)18-8)9-4-5-11-10(6-9)7-14(2,3)17-11/h4-6H,7H2,1-3H3,(H2,15,16).
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62326333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).