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

C9H16N2OS — CID 78992704

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
SMILESCc1csc(CNCCC(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-7-6-13-9(11-7)5-10-4-3-8(2)12/h6,8,10,12H,3-5H2,1-2H3
InChIKeyGCEHYZRBORUXFN-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.31
Rot. Bonds5

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

4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol (PubChem CID 78992704) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
PubChem CID78992704
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
SMILESCc1csc(CNCCC(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-7-6-13-9(11-7)5-10-4-3-8(2)12/h6,8,10,12H,3-5H2,1-2H3
InChIKeyGCEHYZRBORUXFN-UHFFFAOYSA-N
XLogP1.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.31
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

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 61044334
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol (CID 78992704) is 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol is Cc1csc(CNCCC(C)O)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
The InChIKey is GCEHYZRBORUXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-6-13-9(11-7)5-10-4-3-8(2)12/h6,8,10,12H,3-5H2,1-2H3.
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol?
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 78992704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).