(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol

C10H17N3OS — CID 167847692

IUPAC(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C10H17N3OS/c1-7(6-14)11-10-13-12-9(15-10)8-4-2-3-5-8/h7-8,14H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyIVOHKHDKLYPOCK-ZETCQYMHSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds4

About (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol

(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (PubChem CID 167847692) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
PubChem CID167847692
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C10H17N3OS/c1-7(6-14)11-10-13-12-9(15-10)8-4-2-3-5-8/h7-8,14H,2-6H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyIVOHKHDKLYPOCK-ZETCQYMHSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-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

(1S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 163638061
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-propan-2-ylphenyl)butanediamide
CID 1409643
5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133382464
2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 23006992
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5190441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol (CID 167847692) is (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is C[C@@H](CO)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
The InChIKey is IVOHKHDKLYPOCK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(6-14)11-10-13-12-9(15-10)8-4-2-3-5-8/h7-8,14H,2-6H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol?
(2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 167847692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).