(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

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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).