N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

C17H23N3O3S2 — CID 8004471

IUPACN-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1
InChIInChI=1S/C17H23N3O3S2/c1-23-12-9-18-17-19-16(13-24-17)14-5-7-15(8-6-14)25(21,22)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyTWUZXKUUBDMHGJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.04
Rot. Bonds7

About N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine

N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 8004471) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID8004471
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1
InChIInChI=1S/C17H23N3O3S2/c1-23-12-9-18-17-19-16(13-24-17)14-5-7-15(8-6-14)25(21,22)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyTWUZXKUUBDMHGJ-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine (CID 8004471) is N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is TWUZXKUUBDMHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-23-12-9-18-17-19-16(13-24-17)14-5-7-15(8-6-14)25(21,22)20-10-3-2-4-11-20/h5-8,13H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 381.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).