N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

C15H23N3OS — CID 95200151

IUPACN-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC/C=C(\C)CN1CC[C@H](CNC(=O)c2cncs2)C1
InChIInChI=1S/C15H23N3OS/c1-3-4-12(2)9-18-6-5-13(10-18)7-17-15(19)14-8-16-11-20-14/h4,8,11,13H,3,5-7,9-10H2,1-2H3,(H,17,19)/b12-4+/t13-/m1/s1
InChIKeyGFTRIQPRFWWMPX-YKAQBRKTSA-N
MW293.44 g/mol
LogP2.55
Rot. Bonds6

About N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 95200151) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID95200151
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC/C=C(\C)CN1CC[C@H](CNC(=O)c2cncs2)C1
InChIInChI=1S/C15H23N3OS/c1-3-4-12(2)9-18-6-5-13(10-18)7-17-15(19)14-8-16-11-20-14/h4,8,11,13H,3,5-7,9-10H2,1-2H3,(H,17,19)/b12-4+/t13-/m1/s1
InChIKeyGFTRIQPRFWWMPX-YKAQBRKTSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95205845
N-[[(3S)-1-[(E)-2-methylbut-2-enyl]pyrrolidin-3-yl]methyl]-2-pyridin-4-ylacetamide
CID 95211378
6-methyl-N-[[1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56716835
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[2-[(3S)-1-[(E)-2-methylpent-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95207973
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107377516
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 131900860

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 95200151) is N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is CC/C=C(\C)CN1CC[C@H](CNC(=O)c2cncs2)C1.
What is the InChIKey of N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GFTRIQPRFWWMPX-YKAQBRKTSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-4-12(2)9-18-6-5-13(10-18)7-17-15(19)14-8-16-11-20-14/h4,8,11,13H,3,5-7,9-10H2,1-2H3,(H,17,19)/b12-4+/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(E)-2-methylpent-2-enyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95200151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).