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

C10H17N3OS — CID 164639795

IUPAC(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCc1nsc(N(C[C@H](C)O)C2CC2)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13(6-7(2)14)8-4-5-8/h7-8,14H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYRMGHSGNZKQBCI-ZETCQYMHSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds5

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

(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 164639795) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID164639795
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCc1nsc(N(C[C@H](C)O)C2CC2)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13(6-7(2)14)8-4-5-8/h7-8,14H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYRMGHSGNZKQBCI-ZETCQYMHSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484247
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484532
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860364
[5-[Cyclopropyl(methyl)amino]-1,2,4-thiadiazol-3-yl]methanol
CID 174489281
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]ethanol
CID 65273151
2-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273152
2-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273269

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 164639795) is (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCc1nsc(N(C[C@H](C)O)C2CC2)n1.
What is the InChIKey of (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is YRMGHSGNZKQBCI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13(6-7(2)14)8-4-5-8/h7-8,14H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 164639795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).