4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole

C13H10N6S — CID 141120903

IUPAC4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1c[nH]c(-c2sc(-c3ccn[nH]3)nc2-c2ncc[nH]2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-4-1)11-10(12-15-6-7-16-12)18-13(20-11)9-3-5-17-19-9/h1-7,14H,(H,15,16)(H,17,19)
InChIKeyORFXPQBAZJYNOU-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.92
Rot. Bonds3

About 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole

4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 141120903) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID141120903
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESc1c[nH]c(-c2sc(-c3ccn[nH]3)nc2-c2ncc[nH]2)c1
InChIInChI=1S/C13H10N6S/c1-2-8(14-4-1)11-10(12-15-6-7-16-12)18-13(20-11)9-3-5-17-19-9/h1-7,14H,(H,15,16)(H,17,19)
InChIKeyORFXPQBAZJYNOU-UHFFFAOYSA-N
XLogP2.92
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

US8754233, (4-Benzothiazol-2-yl-1H-pyrazol-3-yl)-[2-(1H-imidazol-4-yl)-ethyl]-amine
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4-benzothiazol-2-yl-N5-(1H-imidazol-2-ylmethylene)-1H-pyrazole-3,5-diamine
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4-Benzothiazol-2-YL-N5-(1H-imidazol-2-ylmethyl)-1H-pyrazole-3,5-diamine
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4-N-[5-(1,3-benzothiazol-2-yl)-1H-pyrazol-4-yl]pyrimidine-2,4-diamine
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4-(1H-pyrazol-3-yl)-N-(2-pyridyl)thiazol-2-amine
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1,3-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56751160
1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-1,2,3-triazole
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4-(2,6-difluorophenyl)-5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole
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N-(1H-pyrazol-5-ylmethyl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-amine
CID 155796579
4-(1-methyl-1H-pyrazol-4-yl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56721119
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-imidazol-1-yl]-1H-indazole
CID 56745547
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole (CID 141120903) is 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole is c1c[nH]c(-c2sc(-c3ccn[nH]3)nc2-c2ncc[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is ORFXPQBAZJYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-2-8(14-4-1)11-10(12-15-6-7-16-12)18-13(20-11)9-3-5-17-19-9/h1-7,14H,(H,15,16)(H,17,19).
What are the key properties of 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole?
4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 282.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 141120903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).