6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C14H28N4OS2 — CID 64805464

IUPAC6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C14H28N4OS2/c1-11(2)15-14(3,10-19)8-6-7-9-20-13-17-16-12(21-13)18(4)5/h11,15,19H,6-10H2,1-5H3
InChIKeyJKCWFHDUGUTPOD-UHFFFAOYSA-N
MW332.54 g/mol
LogP2.62
Rot. Bonds10

About 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64805464) has the molecular formula C14H28N4OS2 and a molecular weight of 332.54 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64805464
Molecular FormulaC14H28N4OS2
Molecular Weight332.54 g/mol
Exact Mass332.17
IUPAC Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C14H28N4OS2/c1-11(2)15-14(3,10-19)8-6-7-9-20-13-17-16-12(21-13)18(4)5/h11,15,19H,6-10H2,1-5H3
InChIKeyJKCWFHDUGUTPOD-UHFFFAOYSA-N
XLogP2.62
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64805464) is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCSc1nnc(N(C)C)s1.
What is the InChIKey of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is JKCWFHDUGUTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS2/c1-11(2)15-14(3,10-19)8-6-7-9-20-13-17-16-12(21-13)18(4)5/h11,15,19H,6-10H2,1-5H3.
What are the key properties of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 332.54 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64805464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).