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

C6H10N2OS — CID 92670040

IUPAC(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol
SMILESN[C@@H](CCO)c1nccs1
InChIInChI=1S/C6H10N2OS/c7-5(1-3-9)6-8-2-4-10-6/h2,4-5,9H,1,3,7H2/t5-/m0/s1
InChIKeyMLEQXZUBJLXZKM-YFKPBYRVSA-N
MW158.23 g/mol
LogP0.53
Rot. Bonds3

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

(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 92670040) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID92670040
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol
SMILESN[C@@H](CCO)c1nccs1
InChIInChI=1S/C6H10N2OS/c7-5(1-3-9)6-8-2-4-10-6/h2,4-5,9H,1,3,7H2/t5-/m0/s1
InChIKeyMLEQXZUBJLXZKM-YFKPBYRVSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol (CID 92670040) is (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol is N[C@@H](CCO)c1nccs1.
What is the InChIKey of (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is MLEQXZUBJLXZKM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-5(1-3-9)6-8-2-4-10-6/h2,4-5,9H,1,3,7H2/t5-/m0/s1.
What are the key properties of (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol?
(3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 158.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 92670040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).