N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine

C14H14N2OS — CID 112755713

IUPACN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2cc3cc(C)ccc3o2)s1
InChIInChI=1S/C14H14N2OS/c1-9-3-4-11-10(5-9)6-12(17-11)13-7-16-14(18-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyVVCOMDKZWKUTJK-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 112755713) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID112755713
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCNCc1ncc(-c2cc3cc(C)ccc3o2)s1
InChIInChI=1S/C14H14N2OS/c1-9-3-4-11-10(5-9)6-12(17-11)13-7-16-14(18-13)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyVVCOMDKZWKUTJK-UHFFFAOYSA-N
XLogP3.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55039542
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
1-[2-methoxy-5-(5-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114732268
N-ethyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181548
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
CID 131042698
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
N-methyl-2-[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62343088
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
N-methyl-1-[5-(1,2-thiazol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 130604821
2-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82295484

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine (CID 112755713) is N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine is CNCc1ncc(-c2cc3cc(C)ccc3o2)s1.
What is the InChIKey of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is VVCOMDKZWKUTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-3-4-11-10(5-9)6-12(17-11)13-7-16-14(18-13)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 258.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 112755713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).