[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine

C16H16N2S — CID 82425639

IUPAC[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(Cc2cccc3ccccc23)sc1CN
InChIInChI=1S/C16H16N2S/c1-11-15(10-17)19-16(18-11)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10,17H2,1H3
InChIKeyDKGIJTJABLPOBQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.65
Rot. Bonds3

About [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine

[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82425639) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82425639
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(Cc2cccc3ccccc23)sc1CN
InChIInChI=1S/C16H16N2S/c1-11-15(10-17)19-16(18-11)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10,17H2,1H3
InChIKeyDKGIJTJABLPOBQ-UHFFFAOYSA-N
XLogP3.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84561392
N-tert-butyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564602
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)acetamide
CID 84564619
N-(2-acetamidoethyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84564614
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 84565129
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 84565267
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-propoxyphenyl)acetamide
CID 84565282
N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 84561397
[2-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133378

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 82425639) is [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine is Cc1nc(Cc2cccc3ccccc23)sc1CN.
What is the InChIKey of [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DKGIJTJABLPOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-15(10-17)19-16(18-11)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82425639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).