(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine

C14H12N2O2S2 — CID 130345097

IUPAC(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1ncc(S(=O)(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C14H12N2O2S2/c15-8-13-16-9-14(19-13)20(17,18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8,15H2
InChIKeyVXKXYVIOPMTDAL-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.59
Rot. Bonds3

About (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine

(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine (PubChem CID 130345097) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
PubChem CID130345097
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
SMILESNCc1ncc(S(=O)(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C14H12N2O2S2/c15-8-13-16-9-14(19-13)20(17,18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8,15H2
InChIKeyVXKXYVIOPMTDAL-UHFFFAOYSA-N
XLogP2.59
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889325
[5-[3-Methylsulfonyl-5-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344969
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344977
[5-(3-Ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345060
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 130345096
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345145
[5-[3-(4-Fluorophenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345152
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345178
[5-(3-Phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345306
[5-(3-Tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345397
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358066
(4-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 130358333

Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine (CID 130345097) is (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine is NCc1ncc(S(=O)(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is VXKXYVIOPMTDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c15-8-13-16-9-14(19-13)20(17,18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9H,8,15H2.
What are the key properties of (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine?
(5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 304.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 130345097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).