4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol

C10H18N2OS — CID 111427238

IUPAC4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
SMILESCc1csc(CN(C)CCCCO)n1
InChIInChI=1S/C10H18N2OS/c1-9-8-14-10(11-9)7-12(2)5-3-4-6-13/h8,13H,3-7H2,1-2H3
InChIKeyIEXZYQRSHQMNPO-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.66
Rot. Bonds6

About 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol

4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol (PubChem CID 111427238) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
PubChem CID111427238
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
SMILESCc1csc(CN(C)CCCCO)n1
InChIInChI=1S/C10H18N2OS/c1-9-8-14-10(11-9)7-12(2)5-3-4-6-13/h8,13H,3-7H2,1-2H3
InChIKeyIEXZYQRSHQMNPO-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
ethyl 2-[[3-hydroxypropyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 126802381
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetate
CID 78993755
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
1-[4-[(dimethylamino)methyl]thiophen-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 74243022
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine;2,2,2-trifluoroacetic acid
CID 154886096
N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 91842152
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol (CID 111427238) is 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol is Cc1csc(CN(C)CCCCO)n1.
What is the InChIKey of 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol?
The InChIKey is IEXZYQRSHQMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9-8-14-10(11-9)7-12(2)5-3-4-6-13/h8,13H,3-7H2,1-2H3.
What are the key properties of 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol?
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 111427238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).