(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

C10H13N3O2S — CID 154742388

IUPAC(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cc1cscn1
InChIInChI=1S/C10H13N3O2S/c11-10(15)8-2-1-3-13(8)9(14)4-7-5-16-6-12-7/h5-6,8H,1-4H2,(H2,11,15)/t8-/m1/s1
InChIKeyDFIADIBMDWAJIK-MRVPVSSYSA-N
MW239.30 g/mol
LogP0.16
Rot. Bonds3

About (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 154742388) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID154742388
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C(=O)Cc1cscn1
InChIInChI=1S/C10H13N3O2S/c11-10(15)8-2-1-3-13(8)9(14)4-7-5-16-6-12-7/h5-6,8H,1-4H2,(H2,11,15)/t8-/m1/s1
InChIKeyDFIADIBMDWAJIK-MRVPVSSYSA-N
XLogP0.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 174386227
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
1-[2-(1-ethylpyrazol-3-yl)acetyl]piperidine-2-carboxamide
CID 136549864
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 141149207

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide (CID 154742388) is (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C(=O)Cc1cscn1.
What is the InChIKey of (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is DFIADIBMDWAJIK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c11-10(15)8-2-1-3-13(8)9(14)4-7-5-16-6-12-7/h5-6,8H,1-4H2,(H2,11,15)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154742388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).