6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H14N6O2S2 — CID 62145550

IUPAC6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H14N6O2S2/c1-2-3-12-9-10(17-4-5-20-11(17)15-9)21(18,19)16-8-6-13-14-7-8/h4-7,12,16H,2-3H2,1H3,(H,13,14)
InChIKeyREMFSBYDTFGTRP-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.74
Rot. Bonds6

About 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62145550) has the molecular formula C11H14N6O2S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62145550
Molecular FormulaC11H14N6O2S2
Molecular Weight326.41 g/mol
Exact Mass326.06
IUPAC Name6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H14N6O2S2/c1-2-3-12-9-10(17-4-5-20-11(17)15-9)21(18,19)16-8-6-13-14-7-8/h4-7,12,16H,2-3H2,1H3,(H,13,14)
InChIKeyREMFSBYDTFGTRP-UHFFFAOYSA-N
XLogP1.74
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62145550) is 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCNc1nc2sccn2c1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is REMFSBYDTFGTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S2/c1-2-3-12-9-10(17-4-5-20-11(17)15-9)21(18,19)16-8-6-13-14-7-8/h4-7,12,16H,2-3H2,1H3,(H,13,14).
What are the key properties of 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 326.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62145550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).