3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol

C11H21N3OS — CID 65274410

IUPAC3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCCc1nsc(NCC(O)(CC)CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)12-8-11(15,5-2)6-3/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyVKZVUTGLCPSQEV-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.45
Rot. Bonds7

About 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol

3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol (PubChem CID 65274410) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
PubChem CID65274410
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
SMILESCCCc1nsc(NCC(O)(CC)CC)n1
InChIInChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)12-8-11(15,5-2)6-3/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyVKZVUTGLCPSQEV-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-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

2-methyl-1-methylsulfanyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 106246115
3-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 106171537
N-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271676
N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
2-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 65277150
2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275524
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
4-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzoic acid
CID 65273614
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103736647

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol (CID 65274410) is 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol is CCCc1nsc(NCC(O)(CC)CC)n1.
What is the InChIKey of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
The InChIKey is VKZVUTGLCPSQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-7-9-13-10(16-14-9)12-8-11(15,5-2)6-3/h15H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol?
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol has a molecular weight of 243.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65274410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).