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

C17H25N3OS — CID 129344059

IUPACN-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1csc(C2CC2)n1)C1CC1
InChIInChI=1S/C17H25N3OS/c1-12(21)20(15-6-7-15)10-16-3-2-8-19(16)9-14-11-22-17(18-14)13-4-5-13/h11,13,15-16H,2-10H2,1H3/t16-/m0/s1
InChIKeyYKEISIQVMBRZEL-INIZCTEOSA-N
MW319.47 g/mol
LogP3.00
Rot. Bonds6

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

N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129344059) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129344059
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1csc(C2CC2)n1)C1CC1
InChIInChI=1S/C17H25N3OS/c1-12(21)20(15-6-7-15)10-16-3-2-8-19(16)9-14-11-22-17(18-14)13-4-5-13/h11,13,15-16H,2-10H2,1H3/t16-/m0/s1
InChIKeyYKEISIQVMBRZEL-INIZCTEOSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129003015
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
N-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 111102159
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474418
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573567
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
N-cyclopropyl-N-[[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474004
2-[1-[[2-[acetyl(cyclopropyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-2-yl]-N-ethylacetamide
CID 126803496
N-cyclopropyl-N-[[(2R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129333358
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129344059) is N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@@H]1CCCN1Cc1csc(C2CC2)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is YKEISIQVMBRZEL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12(21)20(15-6-7-15)10-16-3-2-8-19(16)9-14-11-22-17(18-14)13-4-5-13/h11,13,15-16H,2-10H2,1H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2S)-1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129344059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).