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

C13H21N3OS — CID 65273778

IUPAC1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H21N3OS/c1-9-4-6-13(17,7-5-9)8-14-12-15-11(16-18-12)10-2-3-10/h9-10,17H,2-8H2,1H3,(H,14,15,16)
InChIKeyCPWYKDQBPSBSJP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.77
Rot. Bonds4

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

1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65273778) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65273778
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H21N3OS/c1-9-4-6-13(17,7-5-9)8-14-12-15-11(16-18-12)10-2-3-10/h9-10,17H,2-8H2,1H3,(H,14,15,16)
InChIKeyCPWYKDQBPSBSJP-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-methyl-1-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclohexan-1-ol
CID 107305006
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534
N-[(1-benzylcyclopropyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133395328
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
1-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118322
N-(2-chloro-2-cyclopropylethyl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277411
1-cyclopropyl-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274384
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
CID 104594431

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 65273778) is 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is CPWYKDQBPSBSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-4-6-13(17,7-5-9)8-14-12-15-11(16-18-12)10-2-3-10/h9-10,17H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 267.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65273778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).