2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid

C14H10ClNO2S — CID 21426120

IUPAC2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2cc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C14H10ClNO2S/c15-11-3-1-9(2-4-11)10-5-13-16(7-10)12(8-19-13)6-14(17)18/h1-5,7-8H,6H2,(H,17,18)
InChIKeyKHOCGYHWWRODIH-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.95
Rot. Bonds3

About 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 21426120) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID21426120
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2cc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C14H10ClNO2S/c15-11-3-1-9(2-4-11)10-5-13-16(7-10)12(8-19-13)6-14(17)18/h1-5,7-8H,6H2,(H,17,18)
InChIKeyKHOCGYHWWRODIH-UHFFFAOYSA-N
XLogP3.95
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-butan-2-yloxyphenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 21426164
hydroxy-dimethyl-[2-[6-[4-(2-methylpropyl)phenyl]pyrrolo[2,1-b][1,3]thiazol-3-yl]acetyl]azanium
CID 88831760
hydroxy-[2-(6-phenylpyrrolo[2,1-b][1,3]thiazol-3-yl)acetyl]-dipropylazanium
CID 88832445
2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 10661360
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-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
2-[5-acetyl-2-(4-chlorophenyl)thiophen-3-yl]acetic acid
CID 118222154
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
2-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 43120376
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
2-(1-methyl-4-phenylpyrrol-2-yl)acetic acid
CID 86149877
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 21426120) is 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2cc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is KHOCGYHWWRODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-11-3-1-9(2-4-11)10-5-13-16(7-10)12(8-19-13)6-14(17)18/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 291.76 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyrrolo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 21426120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).