4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol

C10H19N3OS — CID 103736664

IUPAC4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nsc(NCC(C)(C)CCO)n1
InChIInChI=1S/C10H19N3OS/c1-4-8-12-9(15-13-8)11-7-10(2,3)5-6-14/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyXHBJXSJQUJRBRM-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.92
Rot. Bonds6

About 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 103736664) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID103736664
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1nsc(NCC(C)(C)CCO)n1
InChIInChI=1S/C10H19N3OS/c1-4-8-12-9(15-13-8)11-7-10(2,3)5-6-14/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyXHBJXSJQUJRBRM-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol (CID 103736664) is 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol is CCc1nsc(NCC(C)(C)CCO)n1.
What is the InChIKey of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is XHBJXSJQUJRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-8-12-9(15-13-8)11-7-10(2,3)5-6-14/h14H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103736664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).