4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide

C10H17N3O2S — CID 83057848

IUPAC4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(14)5-11-9(15)7-8(10(2,3)4)12-13-16-7/h6,14H,5H2,1-4H3,(H,11,15)/t6-/m0/s1
InChIKeyXDLLGVPMIVNMBW-LURJTMIESA-N
MW243.33 g/mol
LogP0.95
Rot. Bonds3

About 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide

4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide (PubChem CID 83057848) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
PubChem CID83057848
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
SMILESC[C@H](O)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(14)5-11-9(15)7-8(10(2,3)4)12-13-16-7/h6,14H,5H2,1-4H3,(H,11,15)/t6-/m0/s1
InChIKeyXDLLGVPMIVNMBW-LURJTMIESA-N
XLogP0.95
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide (CID 83057848) is 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide is C[C@H](O)CNC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide?
The InChIKey is XDLLGVPMIVNMBW-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(14)5-11-9(15)7-8(10(2,3)4)12-13-16-7/h6,14H,5H2,1-4H3,(H,11,15)/t6-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide?
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 83057848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).