3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol

C9H17N3OS — CID 102768036

IUPAC3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)12(4-3-5-13)9-11-6-8(10)14-9/h6-7,13H,3-5,10H2,1-2H3
InChIKeyVZGBFWHJHNBAEN-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.32
Rot. Bonds5

About 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol

3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 102768036) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
PubChem CID102768036
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-7(2)12(4-3-5-13)9-11-6-8(10)14-9/h6-7,13H,3-5,10H2,1-2H3
InChIKeyVZGBFWHJHNBAEN-UHFFFAOYSA-N
XLogP1.32
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol (CID 102768036) is 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ncc(N)s1.
What is the InChIKey of 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is VZGBFWHJHNBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(2)12(4-3-5-13)9-11-6-8(10)14-9/h6-7,13H,3-5,10H2,1-2H3.
What are the key properties of 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol?
3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 102768036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).