[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine

C17H16N2OS — CID 4984676

IUPAC[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(OCc3ccccc3)c2)cs1
InChIInChI=1S/C17H16N2OS/c18-10-17-19-16(12-21-17)14-7-4-8-15(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2
InChIKeyJJVDNXNDDIAMEG-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.85
Rot. Bonds5

About [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine

[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 4984676) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID4984676
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cccc(OCc3ccccc3)c2)cs1
InChIInChI=1S/C17H16N2OS/c18-10-17-19-16(12-21-17)14-7-4-8-15(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2
InChIKeyJJVDNXNDDIAMEG-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
[3-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152526
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
4-(3-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
CID 9174104
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
5-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 164893342
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine (CID 4984676) is [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cccc(OCc3ccccc3)c2)cs1.
What is the InChIKey of [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is JJVDNXNDDIAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c18-10-17-19-16(12-21-17)14-7-4-8-15(9-14)20-11-13-5-2-1-3-6-13/h1-9,12H,10-11,18H2.
What are the key properties of [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine?
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 296.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 4984676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).