N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H20N4O3S2 — CID 104554221

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C12H20N4O3S2/c1-4-5-13-10-11(16-6-7-20-12(16)14-10)21(18,19)15(3)9(2)8-17/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyHRMULIKOGYLXHB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.22
Rot. Bonds7

About N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 104554221) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID104554221
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C12H20N4O3S2/c1-4-5-13-10-11(16-6-7-20-12(16)14-10)21(18,19)15(3)9(2)8-17/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyHRMULIKOGYLXHB-UHFFFAOYSA-N
XLogP1.22
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146195
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146640
N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146023
2-[[6-(propylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]acetamide
CID 62150050
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146393
N-propyl-5-thiomorpholin-4-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62144057
N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115987152
N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158734
N-butyl-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162472
N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61447495

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 104554221) is N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HRMULIKOGYLXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-4-5-13-10-11(16-6-7-20-12(16)14-10)21(18,19)15(3)9(2)8-17/h6-7,9,13,17H,4-5,8H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 104554221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).