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

C9H17N3OS — CID 65274771

IUPAC1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(N(C)CC(C)O)n1
InChIInChI=1S/C9H17N3OS/c1-4-5-8-10-9(14-11-8)12(3)6-7(2)13/h7,13H,4-6H2,1-3H3
InChIKeyQPGHXLRLSRBDJT-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds5

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

1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65274771) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65274771
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCCc1nsc(N(C)CC(C)O)n1
InChIInChI=1S/C9H17N3OS/c1-4-5-8-10-9(14-11-8)12(3)6-7(2)13/h7,13H,4-6H2,1-3H3
InChIKeyQPGHXLRLSRBDJT-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(1S)-1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]ethanol
CID 164636397
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
1,1,1-Trifluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647015
1,1-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647631
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690
4-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 107305734
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65274771) is 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCCc1nsc(N(C)CC(C)O)n1.
What is the InChIKey of 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is QPGHXLRLSRBDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-5-8-10-9(14-11-8)12(3)6-7(2)13/h7,13H,4-6H2,1-3H3.
What are the key properties of 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65274771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).