1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol

C10H18N2OS — CID 115691842

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyTZFCMNOGPBAYLT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.33
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol (PubChem CID 115691842) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
PubChem CID115691842
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyTZFCMNOGPBAYLT-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol (CID 115691842) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol is CCCC(O)CNc1nc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The InChIKey is TZFCMNOGPBAYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 115691842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).