N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

C16H11N5O2S — CID 137147397

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(=O)[nH]cn1
InChIInChI=1S/C16H11N5O2S/c22-14-7-12(17-9-18-14)15(23)19-11-3-1-2-10(6-11)13-8-21-4-5-24-16(21)20-13/h1-9H,(H,19,23)(H,17,18,22)
InChIKeyAFANCZQQSLPFJR-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.40
Rot. Bonds3

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147397) has the molecular formula C16H11N5O2S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147397
Molecular FormulaC16H11N5O2S
Molecular Weight337.36 g/mol
Exact Mass337.06
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(=O)[nH]cn1
InChIInChI=1S/C16H11N5O2S/c22-14-7-12(17-9-18-14)15(23)19-11-3-1-2-10(6-11)13-8-21-4-5-24-16(21)20-13/h1-9H,(H,19,23)(H,17,18,22)
InChIKeyAFANCZQQSLPFJR-UHFFFAOYSA-N
XLogP2.40
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
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4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
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6-[3-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
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N-(3-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147397) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1cc(=O)[nH]cn1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is AFANCZQQSLPFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S/c22-14-7-12(17-9-18-14)15(23)19-11-3-1-2-10(6-11)13-8-21-4-5-24-16(21)20-13/h1-9H,(H,19,23)(H,17,18,22).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).