3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol

C11H21N3OS — CID 106144669

IUPAC3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H21N3OS/c1-4-5-9-13-10(16-14-9)12-8-11(2,3)6-7-15/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyHEGJOMHJOCWTEP-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.31
Rot. Bonds7

About 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol

3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (PubChem CID 106144669) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
PubChem CID106144669
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
SMILESCCCc1nsc(NCC(C)(C)CCO)n1
InChIInChI=1S/C11H21N3OS/c1-4-5-9-13-10(16-14-9)12-8-11(2,3)6-7-15/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyHEGJOMHJOCWTEP-UHFFFAOYSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol (CID 106144669) is 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is CCCc1nsc(NCC(C)(C)CCO)n1.
What is the InChIKey of 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
The InChIKey is HEGJOMHJOCWTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-5-9-13-10(16-14-9)12-8-11(2,3)6-7-15/h15H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 106144669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).