(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide

C8H12N4OS — CID 164636806

IUPAC(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1csnn1
InChIInChI=1S/C8H12N4OS/c9-8(13)7-2-1-3-12(7)4-6-5-14-11-10-6/h5,7H,1-4H2,(H2,9,13)/t7-/m0/s1
InChIKeyMBZIDLWWRROWQO-ZETCQYMHSA-N
MW212.28 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 164636806) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID164636806
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1Cc1csnn1
InChIInChI=1S/C8H12N4OS/c9-8(13)7-2-1-3-12(7)4-6-5-14-11-10-6/h5,7H,1-4H2,(H2,9,13)/t7-/m0/s1
InChIKeyMBZIDLWWRROWQO-ZETCQYMHSA-N
XLogP-0.01
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide (CID 164636806) is (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1Cc1csnn1.
What is the InChIKey of (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MBZIDLWWRROWQO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-8(13)7-2-1-3-12(7)4-6-5-14-11-10-6/h5,7H,1-4H2,(H2,9,13)/t7-/m0/s1.
What are the key properties of (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 212.28 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(thiadiazol-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 164636806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).