N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide

C24H26N4O2S2 — CID 143824341

IUPACN-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC2C(=O)Cc2ccccc2)sc1-c1csc(C2CCC2)n1
InChIInChI=1S/C24H26N4O2S2/c1-15-21(18-14-31-22(26-18)17-9-5-10-17)32-23(25-15)27-24(30)28-12-6-11-19(28)20(29)13-16-7-3-2-4-8-16/h2-4,7-8,14,17,19H,5-6,9-13H2,1H3,(H,25,27,30)
InChIKeyRLGRDQFFSUHZNJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.65
Rot. Bonds6

About N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide

N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide (PubChem CID 143824341) has the molecular formula C24H26N4O2S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide
PubChem CID143824341
Molecular FormulaC24H26N4O2S2
Molecular Weight466.63 g/mol
Exact Mass466.15
IUPAC NameN-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC2C(=O)Cc2ccccc2)sc1-c1csc(C2CCC2)n1
InChIInChI=1S/C24H26N4O2S2/c1-15-21(18-14-31-22(26-18)17-9-5-10-17)32-23(25-15)27-24(30)28-12-6-11-19(28)20(29)13-16-7-3-2-4-8-16/h2-4,7-8,14,17,19H,5-6,9-13H2,1H3,(H,25,27,30)
InChIKeyRLGRDQFFSUHZNJ-UHFFFAOYSA-N
XLogP5.65
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-[2-[[(2S)-2-carbamoylpyrrolidine-1-carbonyl]amino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]carbamate
CID 87536482
(2S)-1-N-[5-(6-cyclopropylpyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293765
(2S)-1-N-[5-[2-(diethylamino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293740
(2S)-1-N-[5-[2-(1-hydroxy-2-methylpropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 134149428
(2S)-1-N-[5-[2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 59293648
N-(4-methyl-1,3-thiazol-2-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717847
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
2-carbamothioyl-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 171535071
(2S)-1-butanoyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 52505416
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
1-N-[4-methyl-5-[2-(1,1,1,2-tetrafluoropropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 146697209

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide (CID 143824341) is N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCCC2C(=O)Cc2ccccc2)sc1-c1csc(C2CCC2)n1.
What is the InChIKey of N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide?
The InChIKey is RLGRDQFFSUHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S2/c1-15-21(18-14-31-22(26-18)17-9-5-10-17)32-23(25-15)27-24(30)28-12-6-11-19(28)20(29)13-16-7-3-2-4-8-16/h2-4,7-8,14,17,19H,5-6,9-13H2,1H3,(H,25,27,30).
What are the key properties of N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide?
N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclobutyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-2-(2-phenylacetyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 143824341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).