5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole

C10H13N3S — CID 124976359

IUPAC5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCNC2)c2sccn12
InChIInChI=1S/C10H13N3S/c1-7-12-9(8-2-3-11-6-8)10-13(7)4-5-14-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyLEXVMNPQIKUQID-QMMMGPOBSA-N
MW207.30 g/mol
LogP1.78
Rot. Bonds1

About 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole

5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole (PubChem CID 124976359) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole
PubChem CID124976359
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCNC2)c2sccn12
InChIInChI=1S/C10H13N3S/c1-7-12-9(8-2-3-11-6-8)10-13(7)4-5-14-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyLEXVMNPQIKUQID-QMMMGPOBSA-N
XLogP1.78
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-7-[(3R)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole
CID 124976358
3,6-dimethyl-1-pyrrolidin-3-ylimidazo[1,5-a]pyridine
CID 83835706
2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564309
N-(2-ethylphenyl)-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine
CID 110085428
3,7-dimethyl-1-piperidin-3-ylimidazo[1,5-a]pyridine
CID 83840279
3,8-dimethyl-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 115029259
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156
5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
CID 124962092
3-piperidin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 82166594
4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 82413076

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole (CID 124976359) is 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole is Cc1nc([C@H]2CCNC2)c2sccn12.
What is the InChIKey of 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is LEXVMNPQIKUQID-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-12-9(8-2-3-11-6-8)10-13(7)4-5-14-10/h4-5,8,11H,2-3,6H2,1H3/t8-/m0/s1.
What are the key properties of 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole?
5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 207.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 124976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).