1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid

C14H18N4O3S — CID 71686801

IUPAC1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)Cc2c(C(=O)O)c(C)cn2CC)s1
InChIInChI=1S/C14H18N4O3S/c1-4-11-16-17-14(22-11)15-10(19)6-9-12(13(20)21)8(3)7-18(9)5-2/h7H,4-6H2,1-3H3,(H,20,21)(H,15,17,19)
InChIKeyWWZUEHFCJQPEOH-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.11
Rot. Bonds6

About 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid

1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid (PubChem CID 71686801) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
PubChem CID71686801
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid
SMILESCCc1nnc(NC(=O)Cc2c(C(=O)O)c(C)cn2CC)s1
InChIInChI=1S/C14H18N4O3S/c1-4-11-16-17-14(22-11)15-10(19)6-9-12(13(20)21)8(3)7-18(9)5-2/h7H,4-6H2,1-3H3,(H,20,21)(H,15,17,19)
InChIKeyWWZUEHFCJQPEOH-UHFFFAOYSA-N
XLogP2.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid with MolForge

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107642753
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108800524
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2231526
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6464660
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 26881446
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9192625

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid (CID 71686801) is 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid is CCc1nnc(NC(=O)Cc2c(C(=O)O)c(C)cn2CC)s1.
What is the InChIKey of 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
The InChIKey is WWZUEHFCJQPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-4-11-16-17-14(22-11)15-10(19)6-9-12(13(20)21)8(3)7-18(9)5-2/h7H,4-6H2,1-3H3,(H,20,21)(H,15,17,19).
What are the key properties of 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid?
1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid has a molecular weight of 322.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-4-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 71686801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).