N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C16H18N2OS — CID 62921982

IUPACN-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H18N2OS/c1-11(2)8-17-9-16-18-13(10-20-16)15-7-12-5-3-4-6-14(12)19-15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyNYMBMPMNZRTQDN-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.30
Rot. Bonds5

About N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62921982) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62921982
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H18N2OS/c1-11(2)8-17-9-16-18-13(10-20-16)15-7-12-5-3-4-6-14(12)19-15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyNYMBMPMNZRTQDN-UHFFFAOYSA-N
XLogP4.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 62921982) is N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NYMBMPMNZRTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(2)8-17-9-16-18-13(10-20-16)15-7-12-5-3-4-6-14(12)19-15/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62921982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).