2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid

C16H12N4O3S — CID 166385959

IUPAC2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2c(NC(=O)c3cn4ccsc4n3)cccc21
InChIInChI=1S/C16H12N4O3S/c21-14(22)9-19-5-4-10-11(2-1-3-13(10)19)17-15(23)12-8-20-6-7-24-16(20)18-12/h1-8H,9H2,(H,17,23)(H,21,22)
InChIKeyFQBDLASIDWQPMQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid

2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid (PubChem CID 166385959) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid
PubChem CID166385959
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc2c(NC(=O)c3cn4ccsc4n3)cccc21
InChIInChI=1S/C16H12N4O3S/c21-14(22)9-19-5-4-10-11(2-1-3-13(10)19)17-15(23)12-8-20-6-7-24-16(20)18-12/h1-8H,9H2,(H,17,23)(H,21,22)
InChIKeyFQBDLASIDWQPMQ-UHFFFAOYSA-N
XLogP2.69
TPSA88.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methylpropanoylamino)indol-1-yl]acetic acid
CID 154846912
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
N-(4-phenoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862652
N-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110851231
3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
CID 72877180
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-indol-1-ylacetamide
CID 45497443
N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862125
N-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 130283677
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 137255532
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110852567
2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71828007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid?
The IUPAC name of 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid (CID 166385959) is 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid is O=C(O)Cn1ccc2c(NC(=O)c3cn4ccsc4n3)cccc21.
What is the InChIKey of 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid?
The InChIKey is FQBDLASIDWQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-14(22)9-19-5-4-10-11(2-1-3-13(10)19)17-15(23)12-8-20-6-7-24-16(20)18-12/h1-8H,9H2,(H,17,23)(H,21,22).
What are the key properties of 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid?
2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid has a molecular weight of 340.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)indol-1-yl]acetic acid is sourced from PubChem (CID 166385959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).