4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol

C10H18N2OS — CID 106841669

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCc1nc(CNCCCCO)sc1C
InChIInChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)7-11-5-3-4-6-13/h11,13H,3-7H2,1-2H3
InChIKeyXRSXPDVEXZLTRF-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.62
Rot. Bonds6

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol

4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (PubChem CID 106841669) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
PubChem CID106841669
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
SMILESCc1nc(CNCCCCO)sc1C
InChIInChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)7-11-5-3-4-6-13/h11,13H,3-7H2,1-2H3
InChIKeyXRSXPDVEXZLTRF-UHFFFAOYSA-N
XLogP1.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.62
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

3-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986447
(3S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 99821574
3-[[4-Methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 83959792
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644892
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)methylamino]-1,1-difluoropropan-2-ol
CID 105645393
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 106176425
Amino-(4,5-dimethyl-1,3-thiazol-2-yl)methanol
CID 57108892
2-[(2,4-Dimethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 64542069
[(4,5-Dimethyl-1,3-thiazol-2-yl)methylamino]methanol
CID 89355381
[2-(1,2-Diaminoethyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 118970366
2-[2-[5-(Hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]-2-(methylamino)ethyl]guanidine
CID 145265807
2-[(2-Tert-butyl-4-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 155794967

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol (CID 106841669) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is Cc1nc(CNCCCCO)sc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
The InChIKey is XRSXPDVEXZLTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-9(2)14-10(12-8)7-11-5-3-4-6-13/h11,13H,3-7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106841669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).