ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate

C11H18N4O3S2 — CID 17415676

IUPACethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H18N4O3S2/c1-5-18-9(17)12-7(16)6-19-10-15-14-8(20-10)13-11(2,3)4/h5-6H2,1-4H3,(H,13,14)(H,12,16,17)
InChIKeyOALYBSOLJDQDIH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.11
Rot. Bonds5

About ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate

ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate (PubChem CID 17415676) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate
PubChem CID17415676
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Nameethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1
InChIInChI=1S/C11H18N4O3S2/c1-5-18-9(17)12-7(16)6-19-10-15-14-8(20-10)13-11(2,3)4/h5-6H2,1-4H3,(H,13,14)(H,12,16,17)
InChIKeyOALYBSOLJDQDIH-UHFFFAOYSA-N
XLogP2.11
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate (CID 17415676) is ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate is CCOC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1.
What is the InChIKey of ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate?
The InChIKey is OALYBSOLJDQDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-5-18-9(17)12-7(16)6-19-10-15-14-8(20-10)13-11(2,3)4/h5-6H2,1-4H3,(H,13,14)(H,12,16,17).
What are the key properties of ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate?
ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]carbamate is sourced from PubChem (CID 17415676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).