4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C17H21N3O3S — CID 38409110

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCCN3CCCC3=O)s2)o1
InChIInChI=1S/C17H21N3O3S/c1-11-6-7-13(23-11)17-19-12(2)15(24-17)16(22)18-8-4-10-20-9-3-5-14(20)21/h6-7H,3-5,8-10H2,1-2H3,(H,18,22)
InChIKeyRCLIYKGCECVJLX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds6

About 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 38409110) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID38409110
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCCCN3CCCC3=O)s2)o1
InChIInChI=1S/C17H21N3O3S/c1-11-6-7-13(23-11)17-19-12(2)15(24-17)16(22)18-8-4-10-20-9-3-5-14(20)21/h6-7H,3-5,8-10H2,1-2H3,(H,18,22)
InChIKeyRCLIYKGCECVJLX-UHFFFAOYSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
2-[2-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241601
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 47939210
4-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570195
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-N-(4-methoxyphenyl)-5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353639
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117081453
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
CID 71807161
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 38409110) is 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCCCN3CCCC3=O)s2)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RCLIYKGCECVJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11-6-7-13(23-11)17-19-12(2)15(24-17)16(22)18-8-4-10-20-9-3-5-14(20)21/h6-7H,3-5,8-10H2,1-2H3,(H,18,22).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38409110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).