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

C13H21N3OS — CID 61245388

IUPAC4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
SMILESCc1nc2sccn2c1CNC(CO)CC(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)6-11(8-17)14-7-12-10(3)15-13-16(12)4-5-18-13/h4-5,9,11,14,17H,6-8H2,1-3H3
InChIKeyLFPBXCRQNYUAQO-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.20
Rot. Bonds6

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

4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol (PubChem CID 61245388) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
PubChem CID61245388
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol
SMILESCc1nc2sccn2c1CNC(CO)CC(C)C
InChIInChI=1S/C13H21N3OS/c1-9(2)6-11(8-17)14-7-12-10(3)15-13-16(12)4-5-18-13/h4-5,9,11,14,17H,6-8H2,1-3H3
InChIKeyLFPBXCRQNYUAQO-UHFFFAOYSA-N
XLogP2.20
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-3-phenylpropan-1-ol
CID 104922935
4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-2-ol
CID 113376077
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 43756336
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
1-methoxy-3-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-2-amine
CID 65047805
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
2-[3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992617
methyl 4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]butanoate
CID 54920768
3-methoxy-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-1-ol
CID 106187628
(1R)-1-(4-methoxyphenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81367471
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol (CID 61245388) is 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol is Cc1nc2sccn2c1CNC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is LFPBXCRQNYUAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)6-11(8-17)14-7-12-10(3)15-13-16(12)4-5-18-13/h4-5,9,11,14,17H,6-8H2,1-3H3.
What are the key properties of 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol?
4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 267.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 61245388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).