4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol

C12H19N3OS — CID 113376077

IUPAC4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
SMILESCc1nc2sccn2c1CNC(C)CC(C)O
InChIInChI=1S/C12H19N3OS/c1-8(6-9(2)16)13-7-11-10(3)14-12-15(11)4-5-17-12/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyPQBNLFQNWZEBGP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds5

About 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol

4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol (PubChem CID 113376077) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
PubChem CID113376077
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
SMILESCc1nc2sccn2c1CNC(C)CC(C)O
InChIInChI=1S/C12H19N3OS/c1-8(6-9(2)16)13-7-11-10(3)14-12-15(11)4-5-17-12/h4-5,8-9,13,16H,6-7H2,1-3H3
InChIKeyPQBNLFQNWZEBGP-UHFFFAOYSA-N
XLogP1.95
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
CID 61245388
1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 65047805
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81367471
(1S)-1-(2-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81389014
(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
N-(2-methoxyethoxy)-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 82715198
N-[(1-ethylcyclopropyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735584

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol (CID 113376077) is 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol is Cc1nc2sccn2c1CNC(C)CC(C)O.
What is the InChIKey of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol?
The InChIKey is PQBNLFQNWZEBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(6-9(2)16)13-7-11-10(3)14-12-15(11)4-5-17-12/h4-5,8-9,13,16H,6-7H2,1-3H3.
What are the key properties of 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol?
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol has a molecular weight of 253.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 113376077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).