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

C9H16N2OS — CID 61146701

IUPAC3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-8(2)11(5-3-6-12)9-10-4-7-13-9/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyJORBGEZXRFSRBS-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.74
Rot. Bonds5

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

3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol (PubChem CID 61146701) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
PubChem CID61146701
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCCO)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-8(2)11(5-3-6-12)9-10-4-7-13-9/h4,7-8,12H,3,5-6H2,1-2H3
InChIKeyJORBGEZXRFSRBS-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol (CID 61146701) is 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol is CC(C)N(CCCO)c1nccs1.
What is the InChIKey of 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol?
The InChIKey is JORBGEZXRFSRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8(2)11(5-3-6-12)9-10-4-7-13-9/h4,7-8,12H,3,5-6H2,1-2H3.
What are the key properties of 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol?
3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(1,3-thiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 61146701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).