N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H22N4O2S — CID 110107927

IUPACN-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCCN2C(=O)c2sc(C)nc2C)ccn1
InChIInChI=1S/C18H22N4O2S/c1-11-17(25-13(3)21-11)18(24)22-8-4-5-16(22)14-6-7-19-15(9-14)10-20-12(2)23/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyXIIVMBQWDVAJNS-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.77
Rot. Bonds4

About N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110107927) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110107927
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCCN2C(=O)c2sc(C)nc2C)ccn1
InChIInChI=1S/C18H22N4O2S/c1-11-17(25-13(3)21-11)18(24)22-8-4-5-16(22)14-6-7-19-15(9-14)10-20-12(2)23/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyXIIVMBQWDVAJNS-UHFFFAOYSA-N
XLogP2.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
N-[[4-[1-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107923

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110107927) is N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C2CCCN2C(=O)c2sc(C)nc2C)ccn1.
What is the InChIKey of N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is XIIVMBQWDVAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-17(25-13(3)21-11)18(24)22-8-4-5-16(22)14-6-7-19-15(9-14)10-20-12(2)23/h6-7,9,16H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).