1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one

C10H16N4OS — CID 43663995

IUPAC1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1csnn1)N1CCCC1
InChIInChI=1S/C10H16N4OS/c15-10(14-5-1-2-6-14)3-4-11-7-9-8-16-13-12-9/h8,11H,1-7H2
InChIKeyFYOJWGUZDAWHCD-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.64
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one

1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one (PubChem CID 43663995) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
PubChem CID43663995
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1csnn1)N1CCCC1
InChIInChI=1S/C10H16N4OS/c15-10(14-5-1-2-6-14)3-4-11-7-9-8-16-13-12-9/h8,11H,1-7H2
InChIKeyFYOJWGUZDAWHCD-UHFFFAOYSA-N
XLogP0.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-pentyl-2-(thiadiazol-4-yl)imidazolidin-4-one
CID 97804699
N-butylthiadiazole-4-carboxamide;propane
CID 161836508
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 25451440
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiadiazole-4-carboxamide
CID 25451445
2-methyl-N-[2-(thiadiazol-4-ylmethylamino)ethyl]propanamide
CID 43663987
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
3-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664002
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
3-(Thiadiazol-4-ylmethylamino)propanamide
CID 43664154
N-ethyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664157
N-propyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664158
N-propan-2-yl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664159

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one (CID 43663995) is 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one is O=C(CCNCc1csnn1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
The InChIKey is FYOJWGUZDAWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c15-10(14-5-1-2-6-14)3-4-11-7-9-8-16-13-12-9/h8,11H,1-7H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one?
1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one has a molecular weight of 240.33 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one is sourced from PubChem (CID 43663995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).