2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide

C15H19N3O2S2 — CID 120632032

IUPAC2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCS(=O)Cc2ccccc2)cs1
InChIInChI=1S/C15H19N3O2S2/c16-7-6-14-18-13(10-21-14)15(19)17-8-9-22(20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11,16H2,(H,17,19)
InChIKeyPQPXDDZTFBNFMT-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.32
Rot. Bonds8

About 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 120632032) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide
PubChem CID120632032
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCS(=O)Cc2ccccc2)cs1
InChIInChI=1S/C15H19N3O2S2/c16-7-6-14-18-13(10-21-14)15(19)17-8-9-22(20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11,16H2,(H,17,19)
InChIKeyPQPXDDZTFBNFMT-UHFFFAOYSA-N
XLogP1.32
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide (CID 120632032) is 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCCS(=O)Cc2ccccc2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PQPXDDZTFBNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c16-7-6-14-18-13(10-21-14)15(19)17-8-9-22(20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11,16H2,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120632032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).