2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol

C11H21N3OS3 — CID 115384279

IUPAC2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1nnc(SC)s1
InChIInChI=1S/C11H21N3OS3/c1-5-12-11(3,7-15)6-8(2)17-10-14-13-9(16-4)18-10/h8,12,15H,5-7H2,1-4H3
InChIKeyLQWHKAIIBSVABQ-UHFFFAOYSA-N
MW307.51 g/mol
LogP2.49
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol

2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (PubChem CID 115384279) has the molecular formula C11H21N3OS3 and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
PubChem CID115384279
Molecular FormulaC11H21N3OS3
Molecular Weight307.51 g/mol
Exact Mass307.08
IUPAC Name2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1nnc(SC)s1
InChIInChI=1S/C11H21N3OS3/c1-5-12-11(3,7-15)6-8(2)17-10-14-13-9(16-4)18-10/h8,12,15H,5-7H2,1-4H3
InChIKeyLQWHKAIIBSVABQ-UHFFFAOYSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol with MolForge

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Related Compounds

N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383697
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
2-(ethylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64806184
4-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64820392
2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanamide
CID 64710518
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-2-amine
CID 115384216
ethyl 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanoate
CID 64710521
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
CID 64806498
5,5-dimethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 113298607
methyl 2-(ethylamino)-2-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 113298748

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol (CID 115384279) is 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is CCNC(C)(CO)CC(C)Sc1nnc(SC)s1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
The InChIKey is LQWHKAIIBSVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS3/c1-5-12-11(3,7-15)6-8(2)17-10-14-13-9(16-4)18-10/h8,12,15H,5-7H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol?
2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol has a molecular weight of 307.51 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-1-ol is sourced from PubChem (CID 115384279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).