(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol

C10H18N2OS — CID 97051663

IUPAC(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
SMILESC[C@@H](CCCO)N[C@H](C)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-8(4-3-6-13)12-9(2)10-11-5-7-14-10/h5,7-9,12-13H,3-4,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLMXLDWUZFYPYQE-DTWKUNHWSA-N
MW214.33 g/mol
LogP1.95
Rot. Bonds6

About (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol

(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 97051663) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
PubChem CID97051663
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
SMILESC[C@@H](CCCO)N[C@H](C)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-8(4-3-6-13)12-9(2)10-11-5-7-14-10/h5,7-9,12-13H,3-4,6H2,1-2H3/t8-,9+/m0/s1
InChIKeyLMXLDWUZFYPYQE-DTWKUNHWSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol with MolForge

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Related Compounds

(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115972512
1-(2-methoxyethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115891943
(2R)-3-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 95366812
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
1-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115901761
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol (CID 97051663) is (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol is C[C@@H](CCCO)N[C@H](C)c1nccs1.
What is the InChIKey of (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is LMXLDWUZFYPYQE-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(4-3-6-13)12-9(2)10-11-5-7-14-10/h5,7-9,12-13H,3-4,6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol?
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 97051663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).