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

C11H20N2OS — CID 115654712

IUPAC4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
SMILESCc1nc(CNCCC(O)C(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-8(2)11(14)4-5-12-6-10-7-15-9(3)13-10/h7-8,11-12,14H,4-6H2,1-3H3
InChIKeyGCAOWNYERBFSNG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.95
Rot. Bonds6

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

4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol (PubChem CID 115654712) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
PubChem CID115654712
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
SMILESCc1nc(CNCCC(O)C(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-8(2)11(14)4-5-12-6-10-7-15-9(3)13-10/h7-8,11-12,14H,4-6H2,1-3H3
InChIKeyGCAOWNYERBFSNG-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
CID 61485001
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
N-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]ethanesulfonamide
CID 115595237
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
3-ethylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 65093047
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol?
The IUPAC name of 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol (CID 115654712) is 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol.
What is the SMILES notation for 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol?
The canonical SMILES for 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol is Cc1nc(CNCCC(O)C(C)C)cs1.
What is the InChIKey of 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol?
The InChIKey is GCAOWNYERBFSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)11(14)4-5-12-6-10-7-15-9(3)13-10/h7-8,11-12,14H,4-6H2,1-3H3.
What are the key properties of 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol?
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol has a molecular weight of 228.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol is sourced from PubChem (CID 115654712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).