1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C18H23N5O3S — CID 652135

IUPAC1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C18H23N5O3S/c1-11(2)16-21-22-17(27-16)20-15(24)13-8-6-10-23(13)18(25)19-12-7-4-5-9-14(12)26-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,19,25)(H,20,22,24)
InChIKeyZHOYFDOOGSOSMT-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.31
Rot. Bonds5

About 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 652135) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID652135
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C18H23N5O3S/c1-11(2)16-21-22-17(27-16)20-15(24)13-8-6-10-23(13)18(25)19-12-7-4-5-9-14(12)26-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,19,25)(H,20,22,24)
InChIKeyZHOYFDOOGSOSMT-UHFFFAOYSA-N
XLogP3.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 6494528
Cyclopropanecarboxylic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 647958
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
2-Ethyl-N-(5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-butyramide
CID 652121
Cyclobutanecarboxylic acid (5-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-[1,3,4]thiadiazol-2-yl)-amide
CID 655694
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
2-(2-oxo-1,3-benzoxazol-3(2H)-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201162
1-[2-[[5-(2-Methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone
CID 2611539
N-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3220474
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
N-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-YL)acetamide
CID 6620326
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 16192742

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 652135) is 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZHOYFDOOGSOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11(2)16-21-22-17(27-16)20-15(24)13-8-6-10-23(13)18(25)19-12-7-4-5-9-14(12)26-3/h4-5,7,9,11,13H,6,8,10H2,1-3H3,(H,19,25)(H,20,22,24).
What are the key properties of 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyphenyl)-2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 652135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).