N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine

C13H16N2O5S2 — CID 175606976

IUPACN-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1ncc(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C13H16N2O5S2/c1-14-13-15-7-11(21-13)22(16,17)8-5-9(18-2)12(20-4)10(6-8)19-3/h5-7H,1-4H3,(H,14,15)
InChIKeyLVAPNNRDWKALSF-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine

N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine (PubChem CID 175606976) has the molecular formula C13H16N2O5S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine
PubChem CID175606976
Molecular FormulaC13H16N2O5S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC NameN-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine
SMILESCNc1ncc(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)s1
InChIInChI=1S/C13H16N2O5S2/c1-14-13-15-7-11(21-13)22(16,17)8-5-9(18-2)12(20-4)10(6-8)19-3/h5-7H,1-4H3,(H,14,15)
InChIKeyLVAPNNRDWKALSF-UHFFFAOYSA-N
XLogP2.04
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine (CID 175606976) is N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine is CNc1ncc(S(=O)(=O)c2cc(OC)c(OC)c(OC)c2)s1.
What is the InChIKey of N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine?
The InChIKey is LVAPNNRDWKALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S2/c1-14-13-15-7-11(21-13)22(16,17)8-5-9(18-2)12(20-4)10(6-8)19-3/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine?
N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine has a molecular weight of 344.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3,4,5-trimethoxyphenyl)sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175606976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).