N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide

C12H19N3OS — CID 103822331

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2CNCC2C)s1
InChIInChI=1S/C12H19N3OS/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyZZMXKPMBKZZCHS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.18
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 103822331) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID103822331
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(CNC(=O)C2CNCC2C)s1
InChIInChI=1S/C12H19N3OS/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16)
InChIKeyZZMXKPMBKZZCHS-UHFFFAOYSA-N
XLogP1.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 106371116
(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814833
(3R,4S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120942521
4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 103822240
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
1-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 113267621
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103814858
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]azepane-1-carboxamide
CID 71867664
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 96996716
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 103822331) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is CCc1cnc(CNC(=O)C2CNCC2C)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ZZMXKPMBKZZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-9-5-14-11(17-9)7-15-12(16)10-6-13-4-8(10)2/h5,8,10,13H,3-4,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103822331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).