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

C9H17N3OS — CID 107197781

IUPAC5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-12(5-3-2-4-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3
InChIKeyFRYKFMCQFPBTPN-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.32
Rot. Bonds6

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

5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol (PubChem CID 107197781) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol
PubChem CID107197781
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol
SMILESCN(CCCCCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-12(5-3-2-4-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3
InChIKeyFRYKFMCQFPBTPN-UHFFFAOYSA-N
XLogP1.32
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 102769067
3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 102768036
2-N-(2-ethoxyethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768803
2-[(5-amino-1,3-thiazol-2-yl)-ethylamino]ethanol
CID 69335060
2-N-(2,2-dimethylpropyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102768170
5-[(5-aminopyrazin-2-yl)-methylamino]pentan-1-ol
CID 107207397
5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
CID 107203400
5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197760
5-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]pentan-1-ol
CID 107198062
2-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3-thiazole-2,5-diamine
CID 102767637
5-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]pentan-1-ol
CID 107200937
4-[[(5-amino-1,3-thiazol-2-yl)-methylamino]methyl]oxan-4-ol
CID 102769156

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol (CID 107197781) is 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol is CN(CCCCCO)c1ncc(N)s1.
What is the InChIKey of 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol?
The InChIKey is FRYKFMCQFPBTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-12(5-3-2-4-6-13)9-11-7-8(10)14-9/h7,13H,2-6,10H2,1H3.
What are the key properties of 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol?
5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1,3-thiazol-2-yl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107197781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).