N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

C12H12N2OS — CID 63654803

IUPACN-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1csc(CNc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C12H12N2OS/c1-2-11-9(3-5-15-11)7-10(1)14-8-12-13-4-6-16-12/h1-2,4,6-7,14H,3,5,8H2
InChIKeySPHVEASORPCAKP-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.69
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine

N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 63654803) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID63654803
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1csc(CNc2ccc3c(c2)CCO3)n1
InChIInChI=1S/C12H12N2OS/c1-2-11-9(3-5-15-11)7-10(1)14-8-12-13-4-6-16-12/h1-2,4,6-7,14H,3,5,8H2
InChIKeySPHVEASORPCAKP-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788599
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 62196657
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62345020
N'-tert-butyl-N-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107445174
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426557
2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine
CID 143951485
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine (CID 63654803) is N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is c1csc(CNc2ccc3c(c2)CCO3)n1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is SPHVEASORPCAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-11-9(3-5-15-11)7-10(1)14-8-12-13-4-6-16-12/h1-2,4,6-7,14H,3,5,8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 232.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 63654803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).