propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

C20H23N3O4S — CID 108793659

IUPACpropan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCc1ccc(N2CC(C(=O)Nc3nc(C)c(C(=O)OC(C)C)s3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-11(2)27-19(26)17-13(4)21-20(28-17)22-18(25)14-9-16(24)23(10-14)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,21,22,25)
InChIKeySASGMHAHPCGCMT-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.32
Rot. Bonds5

About propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate

propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 108793659) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID108793659
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Namepropan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCc1ccc(N2CC(C(=O)Nc3nc(C)c(C(=O)OC(C)C)s3)CC2=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-11(2)27-19(26)17-13(4)21-20(28-17)22-18(25)14-9-16(24)23(10-14)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,21,22,25)
InChIKeySASGMHAHPCGCMT-UHFFFAOYSA-N
XLogP3.32
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
methyl 2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55383821
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24600011
1-(4-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108787231
(3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33039214
prop-2-enyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108788354
methyl 2-[[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 94871389
methyl 2-[[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 96556712
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
1-(4-methoxyphenyl)-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17204156
(2S)-2-[[5-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
CID 7483571
(3S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 8012074

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate (CID 108793659) is propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is Cc1ccc(N2CC(C(=O)Nc3nc(C)c(C(=O)OC(C)C)s3)CC2=O)cc1.
What is the InChIKey of propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is SASGMHAHPCGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-11(2)27-19(26)17-13(4)21-20(28-17)22-18(25)14-9-16(24)23(10-14)15-7-5-12(3)6-8-15/h5-8,11,14H,9-10H2,1-4H3,(H,21,22,25).
What are the key properties of propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate?
propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 401.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-2-[[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108793659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).