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

C6H10N2OS — CID 45121875

IUPAC2-amino-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(N)C(O)c1nccs1
InChIInChI=1S/C6H10N2OS/c1-4(7)5(9)6-8-2-3-10-6/h2-5,9H,7H2,1H3
InChIKeyRXRSWQJQVCZKCF-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.52
Rot. Bonds2

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

2-amino-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 45121875) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID45121875
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-amino-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(N)C(O)c1nccs1
InChIInChI=1S/C6H10N2OS/c1-4(7)5(9)6-8-2-3-10-6/h2-5,9H,7H2,1H3
InChIKeyRXRSWQJQVCZKCF-UHFFFAOYSA-N
XLogP0.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol (CID 45121875) is 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol is CC(N)C(O)c1nccs1.
What is the InChIKey of 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is RXRSWQJQVCZKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(7)5(9)6-8-2-3-10-6/h2-5,9H,7H2,1H3.
What are the key properties of 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol?
2-amino-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 45121875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).