2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H21N5O2S — CID 129473756

IUPAC2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1CC(=O)Nc1nncs1)C1CC1
InChIInChI=1S/C14H21N5O2S/c1-10(20)19(11-4-5-11)7-12-3-2-6-18(12)8-13(21)16-14-17-15-9-22-14/h9,11-12H,2-8H2,1H3,(H,16,17,21)/t12-/m0/s1
InChIKeyABUVLTOVWCLVQL-LBPRGKRZSA-N
MW323.42 g/mol
LogP0.95
Rot. Bonds6

About 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 129473756) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID129473756
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1CC(=O)Nc1nncs1)C1CC1
InChIInChI=1S/C14H21N5O2S/c1-10(20)19(11-4-5-11)7-12-3-2-6-18(12)8-13(21)16-14-17-15-9-22-14/h9,11-12H,2-8H2,1H3,(H,16,17,21)/t12-/m0/s1
InChIKeyABUVLTOVWCLVQL-LBPRGKRZSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 129473756) is 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(=O)N(C[C@@H]1CCCN1CC(=O)Nc1nncs1)C1CC1.
What is the InChIKey of 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ABUVLTOVWCLVQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10(20)19(11-4-5-11)7-12-3-2-6-18(12)8-13(21)16-14-17-15-9-22-14/h9,11-12H,2-8H2,1H3,(H,16,17,21)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[[acetyl(cyclopropyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 129473756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).