5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid

C15H20N4O3S — CID 21258337

IUPAC5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid
SMILESCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)O)n1
InChIInChI=1S/C15H20N4O3S/c1-5-19-7-6-11(18-19)17-14(22)16-9-8-10(15(2,3)4)23-12(9)13(20)21/h6-8H,5H2,1-4H3,(H,20,21)(H2,16,17,18,22)
InChIKeyGOAUXKRXGJBPQX-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.60
Rot. Bonds4

About 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid

5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid (PubChem CID 21258337) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid
PubChem CID21258337
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid
SMILESCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)O)n1
InChIInChI=1S/C15H20N4O3S/c1-5-19-7-6-11(18-19)17-14(22)16-9-8-10(15(2,3)4)23-12(9)13(20)21/h6-8H,5H2,1-4H3,(H,20,21)(H2,16,17,18,22)
InChIKeyGOAUXKRXGJBPQX-UHFFFAOYSA-N
XLogP3.60
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylpyrazol-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 114251038
2-[(1-ethylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114251102
2,2-diethyl-4-[(1-ethylpyrazol-3-yl)amino]-4-oxobutanoic acid
CID 114250817
5-tert-butyl-3-formamidothiophene-2-carboxylic acid
CID 88984867
1-(1-ethylpyrazol-3-yl)-3-(2-phenyl-5-propylsulfonylphenyl)urea
CID 161032789
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
1-(2,5-dimethylphenyl)-3-(1-propylpyrazol-3-yl)urea
CID 53017294
propyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]thiophene-2-carboxylate
CID 10156282
(2R)-2-[(1-ethylpyrazol-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114251107
N-(1-ethylpyrazol-3-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114252342
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
methane;methyl 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 5-tert-butyl-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(4-methylphenyl)carbamoylamino]furan-2-carboxylate;methyl 5-tert-butyl-2-(phenylcarbamoylamino)thiophene-3-carboxylate;methyl 5-tert-butyl-3-[(1-propan-2-ylpyrrol-3-yl)carbamoylamino]thiophene-2-carboxylate;methyl 2-[(4-methylphenyl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate;methyl 2-[(5-methylthiophen-2-yl)carbamoylamino]-5-propan-2-ylthiophene-3-carboxylate
CID 157117816

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid (CID 21258337) is 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid is CCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)O)n1.
What is the InChIKey of 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid?
The InChIKey is GOAUXKRXGJBPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-19-7-6-11(18-19)17-14(22)16-9-8-10(15(2,3)4)23-12(9)13(20)21/h6-8H,5H2,1-4H3,(H,20,21)(H2,16,17,18,22).
What are the key properties of 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid?
5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid has a molecular weight of 336.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(1-ethylpyrazol-3-yl)carbamoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 21258337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).