(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide

C7H12N4OS — CID 131014905

IUPAC(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)N)c1csnn1
InChIInChI=1S/C7H12N4OS/c1-4(8)7(12)9-5(2)6-3-13-11-10-6/h3-5H,8H2,1-2H3,(H,9,12)/t4-,5?/m0/s1
InChIKeyWYAINERBUSMEPO-ROLXFIACSA-N
MW200.27 g/mol
LogP0.06
Rot. Bonds3

About (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide

(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide (PubChem CID 131014905) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide
PubChem CID131014905
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)N)c1csnn1
InChIInChI=1S/C7H12N4OS/c1-4(8)7(12)9-5(2)6-3-13-11-10-6/h3-5H,8H2,1-2H3,(H,9,12)/t4-,5?/m0/s1
InChIKeyWYAINERBUSMEPO-ROLXFIACSA-N
XLogP0.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide (CID 131014905) is (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide is CC(NC(=O)[C@H](C)N)c1csnn1.
What is the InChIKey of (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide?
The InChIKey is WYAINERBUSMEPO-ROLXFIACSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-4(8)7(12)9-5(2)6-3-13-11-10-6/h3-5H,8H2,1-2H3,(H,9,12)/t4-,5?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide?
(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide has a molecular weight of 200.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 131014905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).