1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol

C9H15N3OS — CID 103363978

IUPAC1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C9H15N3OS/c1-5(13)4-11-9-7(6-2-3-6)8(10)12-14-9/h5-6,11,13H,2-4H2,1H3,(H2,10,12)
InChIKeyCSVYJSVTSDYDDT-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.40
Rot. Bonds4

About 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol

1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol (PubChem CID 103363978) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
PubChem CID103363978
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1snc(N)c1C1CC1
InChIInChI=1S/C9H15N3OS/c1-5(13)4-11-9-7(6-2-3-6)8(10)12-14-9/h5-6,11,13H,2-4H2,1H3,(H2,10,12)
InChIKeyCSVYJSVTSDYDDT-UHFFFAOYSA-N
XLogP1.40
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol (CID 103363978) is 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol is CC(O)CNc1snc(N)c1C1CC1.
What is the InChIKey of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol?
The InChIKey is CSVYJSVTSDYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5(13)4-11-9-7(6-2-3-6)8(10)12-14-9/h5-6,11,13H,2-4H2,1H3,(H2,10,12).
What are the key properties of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol?
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol has a molecular weight of 213.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 103363978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).