(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

C20H24N4O2S — CID 162215945

IUPAC(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCC1(c2cc(-c3cnc(CC(=O)N4CCC[C@H]4C(N)=O)s3)ccn2)CCC1
InChIInChI=1S/C20H24N4O2S/c1-20(6-3-7-20)16-10-13(5-8-22-16)15-12-23-17(27-15)11-18(25)24-9-2-4-14(24)19(21)26/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,21,26)/t14-/m0/s1
InChIKeyZTLUKBGCNUHNQY-AWEZNQCLSA-N
MW384.51 g/mol
LogP2.67
Rot. Bonds5

About (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 162215945) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID162215945
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
SMILESCC1(c2cc(-c3cnc(CC(=O)N4CCC[C@H]4C(N)=O)s3)ccn2)CCC1
InChIInChI=1S/C20H24N4O2S/c1-20(6-3-7-20)16-10-13(5-8-22-16)15-12-23-17(27-15)11-18(25)24-9-2-4-14(24)19(21)26/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,21,26)/t14-/m0/s1
InChIKeyZTLUKBGCNUHNQY-AWEZNQCLSA-N
XLogP2.67
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-[5-[2-(2-fluorophenyl)-4-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
CID 147737858
(2S)-1-[2-[4-(trideuteriomethyl)-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide
CID 158451190
(2R)-1-[2-(1,3-thiazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 154742388
1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208
(2R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 138023677
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
ethyl 2-[4-[2-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylpropanoate;ethyl 2-[4-[2-(2-imidazol-1-yl-2-oxoethyl)-4-methyl-1,3-thiazol-5-yl]-2-pyridinyl]-2-methylpropanoate;methane;(2S)-pyrrolidine-2-carboxamide;sulfane
CID 163993519
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
1-[2-(aminomethyl)pyridine-4-carbonyl]pyrrolidine-2-carboxamide
CID 113277721
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide (CID 162215945) is (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is CC1(c2cc(-c3cnc(CC(=O)N4CCC[C@H]4C(N)=O)s3)ccn2)CCC1.
What is the InChIKey of (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ZTLUKBGCNUHNQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(6-3-7-20)16-10-13(5-8-22-16)15-12-23-17(27-15)11-18(25)24-9-2-4-14(24)19(21)26/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H2,21,26)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[5-[2-(1-methylcyclobutyl)-4-pyridinyl]-1,3-thiazol-2-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162215945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).