3-amino-2-(1,3-thiazol-2-yl)propan-1-ol

C6H10N2OS — CID 63216153

IUPAC3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
SMILESNCC(CO)c1nccs1
InChIInChI=1S/C6H10N2OS/c7-3-5(4-9)6-8-1-2-10-6/h1-2,5,9H,3-4,7H2
InChIKeyJKHRVGWYTCUZQH-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.18
Rot. Bonds3

About 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol

3-amino-2-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 63216153) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID63216153
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
SMILESNCC(CO)c1nccs1
InChIInChI=1S/C6H10N2OS/c7-3-5(4-9)6-8-1-2-10-6/h1-2,5,9H,3-4,7H2
InChIKeyJKHRVGWYTCUZQH-UHFFFAOYSA-N
XLogP0.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116987101
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CID 83004028
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977590
3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512
4-[2-amino-1-(1,3-thiazol-2-yl)ethyl]phenol
CID 115032136
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977589
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol (CID 63216153) is 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol is NCC(CO)c1nccs1.
What is the InChIKey of 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is JKHRVGWYTCUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-3-5(4-9)6-8-1-2-10-6/h1-2,5,9H,3-4,7H2.
What are the key properties of 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol?
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 63216153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).