1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C12H21N3O2S — CID 60897023

IUPAC1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CCCCC1NCC(O)COc1cnsn1
InChIInChI=1S/C12H21N3O2S/c1-9-4-2-3-5-11(9)13-6-10(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3
InChIKeyYBXNOCKVVNKTGZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.45
Rot. Bonds6

About 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 60897023) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID60897023
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCC1CCCCC1NCC(O)COc1cnsn1
InChIInChI=1S/C12H21N3O2S/c1-9-4-2-3-5-11(9)13-6-10(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3
InChIKeyYBXNOCKVVNKTGZ-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopentylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904172
1-[(2-methoxycyclopentyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 55033364
1-[(1,3-dimethylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 114503518
1-[(2,6-dimethylpiperidin-1-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83021124
1-[[(1S)-1-cyclopentylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81396146
1-[(1-methylpiperidin-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60909284
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
1-(2-cyclopropylpropan-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 104577999
1-(2,3-dihydro-1H-inden-2-ylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 107852038
1-(2,6-dimethylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632624
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(2,2-dimethylhydrazinyl)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 83014161

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 60897023) is 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CC1CCCCC1NCC(O)COc1cnsn1.
What is the InChIKey of 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is YBXNOCKVVNKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-4-2-3-5-11(9)13-6-10(16)8-17-12-7-14-18-15-12/h7,9-11,13,16H,2-6,8H2,1H3.
What are the key properties of 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 271.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 60897023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).