N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C17H19N3O2S2 — CID 5310319

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12
InChIInChI=1S/C17H19N3O2S2/c1-12-11-23-17-19-15(10-20(12)17)9-18-24(21,22)16-7-6-13-4-2-3-5-14(13)8-16/h6-8,10-11,18H,2-5,9H2,1H3
InChIKeyQXWLAEDIRLEZFB-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.06
Rot. Bonds4

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 5310319) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID5310319
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12
InChIInChI=1S/C17H19N3O2S2/c1-12-11-23-17-19-15(10-20(12)17)9-18-24(21,22)16-7-6-13-4-2-3-5-14(13)8-16/h6-8,10-11,18H,2-5,9H2,1H3
InChIKeyQXWLAEDIRLEZFB-UHFFFAOYSA-N
XLogP3.06
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 5310319) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is QXWLAEDIRLEZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-12-11-23-17-19-15(10-20(12)17)9-18-24(21,22)16-7-6-13-4-2-3-5-14(13)8-16/h6-8,10-11,18H,2-5,9H2,1H3.
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 361.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 5310319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).