2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid

C18H19NO3S — CID 21426164

IUPAC2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCC(C)Oc1cccc(-c2cc3scc(CC(=O)O)n3c2)c1
InChIInChI=1S/C18H19NO3S/c1-3-12(2)22-16-6-4-5-13(7-16)14-8-17-19(10-14)15(11-23-17)9-18(20)21/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)
InChIKeyUCGTYVLKOONFAS-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.47
Rot. Bonds6

About 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 21426164) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID21426164
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESCCC(C)Oc1cccc(-c2cc3scc(CC(=O)O)n3c2)c1
InChIInChI=1S/C18H19NO3S/c1-3-12(2)22-16-6-4-5-13(7-16)14-8-17-19(10-14)15(11-23-17)9-18(20)21/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)
InChIKeyUCGTYVLKOONFAS-UHFFFAOYSA-N
XLogP4.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxy-dimethyl-[2-[6-[3-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolo[2,1-b][1,3]thiazol-3-yl]acetyl]azanium
CID 88831172
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
1-(3-phenylphenoxy)propane-1,2-diol
CID 141410322
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
3-(3-butan-2-yloxyphenyl)prop-2-yn-1-amine
CID 60801175
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438
5-[3-[(2S)-butan-2-yl]oxyphenyl]-2-(chloromethyl)-1,3-oxazole
CID 124500413
[3-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54850935

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 21426164) is 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid is CCC(C)Oc1cccc(-c2cc3scc(CC(=O)O)n3c2)c1.
What is the InChIKey of 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is UCGTYVLKOONFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-3-12(2)22-16-6-4-5-13(7-16)14-8-17-19(10-14)15(11-23-17)9-18(20)21/h4-8,10-12H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 329.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 21426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).