N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide

C15H21N3O2S2 — CID 120895810

IUPACN-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(CCN)CCc2ccccc2)s1
InChIInChI=1S/C15H21N3O2S2/c1-12-15(21-13(2)17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,8-11,16H2,1-2H3
InChIKeyVFOPGKJNDYBLNO-UHFFFAOYSA-N
MW339.49 g/mol
LogP1.95
Rot. Bonds7

About N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide

N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 120895810) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
PubChem CID120895810
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)N(CCN)CCc2ccccc2)s1
InChIInChI=1S/C15H21N3O2S2/c1-12-15(21-13(2)17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,8-11,16H2,1-2H3
InChIKeyVFOPGKJNDYBLNO-UHFFFAOYSA-N
XLogP1.95
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide (CID 120895810) is N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)N(CCN)CCc2ccccc2)s1.
What is the InChIKey of N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is VFOPGKJNDYBLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-12-15(21-13(2)17-12)22(19,20)18(11-9-16)10-8-14-6-4-3-5-7-14/h3-7H,8-11,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide?
N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 120895810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).