(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

C15H21N5S — CID 96500967

IUPAC(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1cn2c(CN[C@@H](C)[C@@H](C)n3cccn3)c(C)nc2s1
InChIInChI=1S/C15H21N5S/c1-10-9-19-14(12(3)18-15(19)21-10)8-16-11(2)13(4)20-7-5-6-17-20/h5-7,9,11,13,16H,8H2,1-4H3/t11-,13+/m0/s1
InChIKeyQXXBAEDLZBCSAC-WCQYABFASA-N
MW303.44 g/mol
LogP2.95
Rot. Bonds5

About (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 96500967) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID96500967
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1cn2c(CN[C@@H](C)[C@@H](C)n3cccn3)c(C)nc2s1
InChIInChI=1S/C15H21N5S/c1-10-9-19-14(12(3)18-15(19)21-10)8-16-11(2)13(4)20-7-5-6-17-20/h5-7,9,11,13,16H,8H2,1-4H3/t11-,13+/m0/s1
InChIKeyQXXBAEDLZBCSAC-WCQYABFASA-N
XLogP2.95
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 96500967) is (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is Cc1cn2c(CN[C@@H](C)[C@@H](C)n3cccn3)c(C)nc2s1.
What is the InChIKey of (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is QXXBAEDLZBCSAC-WCQYABFASA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-9-19-14(12(3)18-15(19)21-10)8-16-11(2)13(4)20-7-5-6-17-20/h5-7,9,11,13,16H,8H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 303.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 96500967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).