(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide

C16H21N3OS2 — CID 124622225

IUPAC(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1cccs1
InChIInChI=1S/C16H21N3OS2/c1-3-12(15-7-5-9-21-15)18-16(20)19-8-4-6-14(19)13-10-22-11(2)17-13/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyVVRUGYJCYGCLIG-TZMCWYRMSA-N
MW335.50 g/mol
LogP4.51
Rot. Bonds4

About (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide

(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide (PubChem CID 124622225) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
PubChem CID124622225
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1cccs1
InChIInChI=1S/C16H21N3OS2/c1-3-12(15-7-5-9-21-15)18-16(20)19-8-4-6-14(19)13-10-22-11(2)17-13/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,18,20)/t12-,14-/m1/s1
InChIKeyVVRUGYJCYGCLIG-TZMCWYRMSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
CID 75515790
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 126794828
(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957
4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 114425398
[1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropyl]urea
CID 127920280
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
tert-butyl 2-[(1-thiophen-2-ylpropylamino)methyl]pyrrolidine-1-carboxylate
CID 103782677
(2R,4R)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999392
(2S,4S)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide (CID 124622225) is (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide is CC[C@@H](NC(=O)N1CCC[C@@H]1c1csc(C)n1)c1cccs1.
What is the InChIKey of (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is VVRUGYJCYGCLIG-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-3-12(15-7-5-9-21-15)18-16(20)19-8-4-6-14(19)13-10-22-11(2)17-13/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3,(H,18,20)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124622225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).