5-(1,3-thiazol-2-ylamino)pentan-1-ol

C8H14N2OS — CID 107318090

IUPAC5-(1,3-thiazol-2-ylamino)pentan-1-ol
SMILESOCCCCCNc1nccs1
InChIInChI=1S/C8H14N2OS/c11-6-3-1-2-4-9-8-10-5-7-12-8/h5,7,11H,1-4,6H2,(H,9,10)
InChIKeyVQEUFMVANYMQOE-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.72
Rot. Bonds6

About 5-(1,3-thiazol-2-ylamino)pentan-1-ol

5-(1,3-thiazol-2-ylamino)pentan-1-ol (PubChem CID 107318090) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylamino)pentan-1-ol
PubChem CID107318090
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name5-(1,3-thiazol-2-ylamino)pentan-1-ol
SMILESOCCCCCNc1nccs1
InChIInChI=1S/C8H14N2OS/c11-6-3-1-2-4-9-8-10-5-7-12-8/h5,7,11H,1-4,6H2,(H,9,10)
InChIKeyVQEUFMVANYMQOE-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.72
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-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
5-(1,3-thiazol-2-ylmethylamino)pentan-1-ol
CID 107302916
CID 59694819
CID 59694819
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
CID 107318161
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
2-methyl-N'-(1,3-thiazol-2-yl)pentane-1,5-diamine
CID 106155364
N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115579999
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(1,3-thiazol-2-ylamino)pentan-1-ol (CID 107318090) is 5-(1,3-thiazol-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(1,3-thiazol-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(1,3-thiazol-2-ylamino)pentan-1-ol is OCCCCCNc1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-ylamino)pentan-1-ol?
The InChIKey is VQEUFMVANYMQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c11-6-3-1-2-4-9-8-10-5-7-12-8/h5,7,11H,1-4,6H2,(H,9,10).
What are the key properties of 5-(1,3-thiazol-2-ylamino)pentan-1-ol?
5-(1,3-thiazol-2-ylamino)pentan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylamino)pentan-1-ol is sourced from PubChem (CID 107318090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).