1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine

C13H21N3O2S2 — CID 105023459

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cn2ccsc2n1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S2/c1-4-5-14-12(10(2)20(3,17)18)8-11-9-16-6-7-19-13(16)15-11/h6-7,9-10,12,14H,4-5,8H2,1-3H3
InChIKeyHGUROTSSTUTTCQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.74
Rot. Bonds7

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine (PubChem CID 105023459) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
PubChem CID105023459
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cn2ccsc2n1)C(C)S(C)(=O)=O
InChIInChI=1S/C13H21N3O2S2/c1-4-5-14-12(10(2)20(3,17)18)8-11-9-16-6-7-19-13(16)15-11/h6-7,9-10,12,14H,4-5,8H2,1-3H3
InChIKeyHGUROTSSTUTTCQ-UHFFFAOYSA-N
XLogP1.74
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725116
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115333944
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonylpropan-2-ol
CID 115828305
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928656

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine (CID 105023459) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine is CCCNC(Cc1cn2ccsc2n1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine?
The InChIKey is HGUROTSSTUTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-4-5-14-12(10(2)20(3,17)18)8-11-9-16-6-7-19-13(16)15-11/h6-7,9-10,12,14H,4-5,8H2,1-3H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine?
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine has a molecular weight of 315.46 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine is sourced from PubChem (CID 105023459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).