(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

C15H18N4O2S — CID 94031776

IUPAC(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H18N4O2S/c1-21-13-6-4-11(5-7-13)9-12-3-2-8-19(12)15(20)17-14-18-16-10-22-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyPHQLYGQAAGYDKM-GFCCVEGCSA-N
MW318.40 g/mol
LogP2.79
Rot. Bonds4

About (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide

(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 94031776) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID94031776
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(C[C@H]2CCCN2C(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H18N4O2S/c1-21-13-6-4-11(5-7-13)9-12-3-2-8-19(12)15(20)17-14-18-16-10-22-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyPHQLYGQAAGYDKM-GFCCVEGCSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56820329
[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94620742
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
N-(4-methoxyphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 9457748
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
1-[2-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97212457
(2,4-difluoro-6-hydroxyphenyl)-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 95165164
4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (CID 94031776) is (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is COc1ccc(C[C@H]2CCCN2C(=O)Nc2nncs2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is PHQLYGQAAGYDKM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-13-6-4-11(5-7-13)9-12-3-2-8-19(12)15(20)17-14-18-16-10-22-14/h4-7,10,12H,2-3,8-9H2,1H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methyl]-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94031776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).