2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid

C9H8N2O2S — CID 116965645

IUPAC2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)4-8-11-7(5-14-8)6-2-1-3-10-6/h1-3,5,10H,4H2,(H,12,13)
InChIKeyUOVKCHVRVDPPAK-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.77
Rot. Bonds3

About 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid

2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 116965645) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID116965645
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc[nH]2)cs1
InChIInChI=1S/C9H8N2O2S/c12-9(13)4-8-11-7(5-14-8)6-2-1-3-10-6/h1-3,5,10H,4H2,(H,12,13)
InChIKeyUOVKCHVRVDPPAK-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116968651
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole
CID 17423714
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]acetic acid
CID 83131751
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butanenitrile
CID 116969749
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxylic acid
CID 116965821
3-amino-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 136988948
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 24687215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid (CID 116965645) is 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(-c2ccc[nH]2)cs1.
What is the InChIKey of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is UOVKCHVRVDPPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-9(13)4-8-11-7(5-14-8)6-2-1-3-10-6/h1-3,5,10H,4H2,(H,12,13).
What are the key properties of 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 208.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 116965645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).