[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol

C12H21N3OS — CID 65276919

IUPAC[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
SMILESCCCc1nsc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-6-10-13-11(17-15-10)14-12(9-16)7-4-3-5-8-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyWYSSRZQIOWGPPD-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.60
Rot. Bonds5

About [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol

[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol (PubChem CID 65276919) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
PubChem CID65276919
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol
SMILESCCCc1nsc(NC2(CO)CCCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-2-6-10-13-11(17-15-10)14-12(9-16)7-4-3-5-8-12/h16H,2-9H2,1H3,(H,13,14,15)
InChIKeyWYSSRZQIOWGPPD-UHFFFAOYSA-N
XLogP2.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]cyclobutyl]methanol
CID 115886146
1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclobutane-1-carboxylic acid
CID 81165137
4-ethyl-1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65270815
2-[1-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 114757150
[1-[(6-amino-2-propylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 80955109
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]methanol
CID 65209442
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360719
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclopentyl]methanol
CID 65209440
(2S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79247194
[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80804152
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol (CID 65276919) is [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol is CCCc1nsc(NC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol?
The InChIKey is WYSSRZQIOWGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-6-10-13-11(17-15-10)14-12(9-16)7-4-3-5-8-12/h16H,2-9H2,1H3,(H,13,14,15).
What are the key properties of [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol?
[1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol has a molecular weight of 255.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 65276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).