2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol

C11H21N3OS2 — CID 133383664

IUPAC2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H21N3OS2/c1-11(2,3)9-13-14-10(17-9)12-8(7-15)5-6-16-4/h8,15H,5-7H2,1-4H3,(H,12,14)
InChIKeyVMMPAROUEZQSJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.36
Rot. Bonds6

About 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol

2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol (PubChem CID 133383664) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol
PubChem CID133383664
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC Name2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol
SMILESCSCCC(CO)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H21N3OS2/c1-11(2,3)9-13-14-10(17-9)12-8(7-15)5-6-16-4/h8,15H,5-7H2,1-4H3,(H,12,14)
InChIKeyVMMPAROUEZQSJJ-UHFFFAOYSA-N
XLogP2.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol (CID 133383664) is 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol is CSCCC(CO)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol?
The InChIKey is VMMPAROUEZQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-11(2,3)9-13-14-10(17-9)12-8(7-15)5-6-16-4/h8,15H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol?
2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 133383664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).