5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole

C16H19N3S2 — CID 124962092

IUPAC5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCCCN2Cc2ccsc2)c2sccn12
InChIInChI=1S/C16H19N3S2/c1-12-17-15(16-19(12)7-9-21-16)14-4-2-3-6-18(14)10-13-5-8-20-11-13/h5,7-9,11,14H,2-4,6,10H2,1H3/t14-/m1/s1
InChIKeyHGFRXKNRDKKOLS-CQSZACIVSA-N
MW317.48 g/mol
LogP4.49
Rot. Bonds3

About 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole

5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole (PubChem CID 124962092) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
PubChem CID124962092
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC Name5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@H]2CCCCN2Cc2ccsc2)c2sccn12
InChIInChI=1S/C16H19N3S2/c1-12-17-15(16-19(12)7-9-21-16)14-4-2-3-6-18(14)10-13-5-8-20-11-13/h5,7-9,11,14H,2-4,6,10H2,1H3/t14-/m1/s1
InChIKeyHGFRXKNRDKKOLS-CQSZACIVSA-N
XLogP4.49
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole with MolForge

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Related Compounds

7-[(2R)-1-benzylpiperidin-2-yl]-5-methylimidazo[5,1-b][1,3]thiazole
CID 125001367
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
3,5-dimethyl-4-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 95124993
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
1-[1-(thiophen-3-ylmethyl)piperidin-2-yl]propan-1-ol
CID 115882861
4-methyl-6-(1-methylimidazol-2-yl)-2-[(2S)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 125019841
4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110520
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95815941
4-(1H-imidazol-2-yl)-6-methyl-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110518
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
2-(chloromethyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 63387601

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole (CID 124962092) is 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole is Cc1nc([C@H]2CCCCN2Cc2ccsc2)c2sccn12.
What is the InChIKey of 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is HGFRXKNRDKKOLS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-12-17-15(16-19(12)7-9-21-16)14-4-2-3-6-18(14)10-13-5-8-20-11-13/h5,7-9,11,14H,2-4,6,10H2,1H3/t14-/m1/s1.
What are the key properties of 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole?
5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 317.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 124962092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).