(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol

C9H16N2OS — CID 96824359

IUPAC(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-8(6-12)11-7(2)9-10-4-5-13-9/h4-5,7-8,11-12H,3,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFSPHGZNNNHPUNU-JGVFFNPUSA-N
MW200.31 g/mol
LogP1.56
Rot. Bonds5

About (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol

(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol (PubChem CID 96824359) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
PubChem CID96824359
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@@H](C)c1nccs1
InChIInChI=1S/C9H16N2OS/c1-3-8(6-12)11-7(2)9-10-4-5-13-9/h4-5,7-8,11-12H,3,6H2,1-2H3/t7-,8+/m0/s1
InChIKeyFSPHGZNNNHPUNU-JGVFFNPUSA-N
XLogP1.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-(1-thiophen-2-ylethylamino)butan-1-ol
CID 43207104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol (CID 96824359) is (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol is CC[C@H](CO)N[C@@H](C)c1nccs1.
What is the InChIKey of (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol?
The InChIKey is FSPHGZNNNHPUNU-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-8(6-12)11-7(2)9-10-4-5-13-9/h4-5,7-8,11-12H,3,6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol?
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 96824359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).