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

C13H22N4O2S2 — CID 62146640

IUPAC6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)C
InChIInChI=1S/C13H22N4O2S2/c1-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(5)10(4)9(2)3/h7-10,14H,6H2,1-5H3
InChIKeyXPGMECSAEDASQP-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.49
Rot. Bonds6

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

6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146640) has the molecular formula C13H22N4O2S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146640
Molecular FormulaC13H22N4O2S2
Molecular Weight330.48 g/mol
Exact Mass330.12
IUPAC Name6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)C
InChIInChI=1S/C13H22N4O2S2/c1-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(5)10(4)9(2)3/h7-10,14H,6H2,1-5H3
InChIKeyXPGMECSAEDASQP-UHFFFAOYSA-N
XLogP2.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
N-(1-hydroxypropan-2-yl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 104554221
N-(3,3-dimethylbutan-2-yl)-N-methyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146393
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455
N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115408553
N-methyl-6-(methylamino)-N-(1-methylsulfanylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115987152
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962286
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146195
N-ethyl-5-(3-methylpyrrolidin-1-yl)sulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62147094
N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146023

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146640) is 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCNc1nc2sccn2c1S(=O)(=O)N(C)C(C)C(C)C.
What is the InChIKey of 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is XPGMECSAEDASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S2/c1-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(5)10(4)9(2)3/h7-10,14H,6H2,1-5H3.
What are the key properties of 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 330.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).