(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C16H16N6OS — CID 95603962

IUPAC(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(14-10-19-15(24-14)13-9-17-5-6-18-13)22-8-1-3-12(22)11-21-7-2-4-20-21/h2,4-7,9-10,12H,1,3,8,11H2/t12-/m1/s1
InChIKeyGYESIGBJAZQWOP-GFCCVEGCSA-N
MW340.41 g/mol
LogP2.10
Rot. Bonds4

About (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95603962) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95603962
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(14-10-19-15(24-14)13-9-17-5-6-18-13)22-8-1-3-12(22)11-21-7-2-4-20-21/h2,4-7,9-10,12H,1,3,8,11H2/t12-/m1/s1
InChIKeyGYESIGBJAZQWOP-GFCCVEGCSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(4-methylpyrimidin-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603803
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 95603581
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 97085040
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603700
(1-pyrazin-2-ylpiperidin-3-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779237
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161

Frequently Asked Questions

What is the IUPAC name of (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95603962) is (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cnc(-c2cnccn2)s1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GYESIGBJAZQWOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(14-10-19-15(24-14)13-9-17-5-6-18-13)22-8-1-3-12(22)11-21-7-2-4-20-21/h2,4-7,9-10,12H,1,3,8,11H2/t12-/m1/s1.
What are the key properties of (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 340.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95603962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).