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

C10H17N3OS2 — CID 79640365

IUPAC[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCc1nnc(SC2CCCC(N)(CO)C2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-9(15-7)16-8-3-2-4-10(11,5-8)6-14/h8,14H,2-6,11H2,1H3
InChIKeyKNZXNROVRHYKCJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.57
Rot. Bonds3

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

[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol (PubChem CID 79640365) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
PubChem CID79640365
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
SMILESCc1nnc(SC2CCCC(N)(CO)C2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-9(15-7)16-8-3-2-4-10(11,5-8)6-14/h8,14H,2-6,11H2,1H3
InChIKeyKNZXNROVRHYKCJ-UHFFFAOYSA-N
XLogP1.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol (CID 79640365) is [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol is Cc1nnc(SC2CCCC(N)(CO)C2)s1.
What is the InChIKey of [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
The InChIKey is KNZXNROVRHYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-12-13-9(15-7)16-8-3-2-4-10(11,5-8)6-14/h8,14H,2-6,11H2,1H3.
What are the key properties of [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol?
[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol has a molecular weight of 259.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol is sourced from PubChem (CID 79640365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).