4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol

C11H20N2OS — CID 115975948

IUPAC4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
SMILESCC(CCCO)NC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(5-4-7-14)13-11(2,3)10-12-6-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3
InChIKeySDGAFPHRTQUXHV-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.13
Rot. Bonds6

About 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol

4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol (PubChem CID 115975948) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
PubChem CID115975948
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
SMILESCC(CCCO)NC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2OS/c1-9(5-4-7-14)13-11(2,3)10-12-6-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3
InChIKeySDGAFPHRTQUXHV-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-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

6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
2-(1,3-thiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115920514
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
CID 104583939
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103864793
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol?
The IUPAC name of 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol (CID 115975948) is 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol.
What is the SMILES notation for 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol?
The canonical SMILES for 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol is CC(CCCO)NC(C)(C)c1nccs1.
What is the InChIKey of 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol?
The InChIKey is SDGAFPHRTQUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(5-4-7-14)13-11(2,3)10-12-6-8-15-10/h6,8-9,13-14H,4-5,7H2,1-3H3.
What are the key properties of 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol?
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol is sourced from PubChem (CID 115975948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).