2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one

C16H12N6OS — CID 71220455

IUPAC2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one
SMILESNC1=NC(c2cccc(-c3cncnc3)c2)(c2cscn2)C(=O)N1
InChIInChI=1S/C16H12N6OS/c17-15-21-14(23)16(22-15,13-7-24-9-20-13)12-3-1-2-10(4-12)11-5-18-8-19-6-11/h1-9H,(H3,17,21,22,23)
InChIKeyIHMLFDZWXPGZAB-UHFFFAOYSA-N
MW336.38 g/mol
LogP1.29
Rot. Bonds3

About 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one

2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one (PubChem CID 71220455) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one
PubChem CID71220455
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one
SMILESNC1=NC(c2cccc(-c3cncnc3)c2)(c2cscn2)C(=O)N1
InChIInChI=1S/C16H12N6OS/c17-15-21-14(23)16(22-15,13-7-24-9-20-13)12-3-1-2-10(4-12)11-5-18-8-19-6-11/h1-9H,(H3,17,21,22,23)
InChIKeyIHMLFDZWXPGZAB-UHFFFAOYSA-N
XLogP1.29
TPSA106.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 137394349
5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
CID 70326750
3-pyrimidin-5-ylaniline
CID 7162049
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893
2-amino-5-(5-chloro-2-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 68699312
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
4-[6-amino-8-(3-pyrimidin-5-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenol
CID 71032880
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
CID 67025352
3-(2-propan-2-yl-4-pyridinyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one (CID 71220455) is 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one is NC1=NC(c2cccc(-c3cncnc3)c2)(c2cscn2)C(=O)N1.
What is the InChIKey of 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The InChIKey is IHMLFDZWXPGZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c17-15-21-14(23)16(22-15,13-7-24-9-20-13)12-3-1-2-10(4-12)11-5-18-8-19-6-11/h1-9H,(H3,17,21,22,23).
What are the key properties of 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one has a molecular weight of 336.38 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one is sourced from PubChem (CID 71220455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).