5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C15H15N3O2S3 — CID 5310463

IUPAC5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1
InChIInChI=1S/C15H15N3O2S3/c1-2-13-5-6-14(22-13)23(19,20)17-9-12-10-21-15(18-12)11-4-3-7-16-8-11/h3-8,10,17H,2,9H2,1H3
InChIKeyMSZJNNMULKOVET-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.31
Rot. Bonds6

About 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 5310463) has the molecular formula C15H15N3O2S3 and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID5310463
Molecular FormulaC15H15N3O2S3
Molecular Weight365.51 g/mol
Exact Mass365.03
IUPAC Name5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1
InChIInChI=1S/C15H15N3O2S3/c1-2-13-5-6-14(22-13)23(19,20)17-9-12-10-21-15(18-12)11-4-3-7-16-8-11/h3-8,10,17H,2,9H2,1H3
InChIKeyMSZJNNMULKOVET-UHFFFAOYSA-N
XLogP3.31
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 5310463) is 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1.
What is the InChIKey of 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is MSZJNNMULKOVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S3/c1-2-13-5-6-14(22-13)23(19,20)17-9-12-10-21-15(18-12)11-4-3-7-16-8-11/h3-8,10,17H,2,9H2,1H3.
What are the key properties of 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 365.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).