4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

C16H18N6S — CID 125005088

IUPAC4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2nccnc2[C@H]2CCCN2Cc2cscn2)[nH]1
InChIInChI=1S/C16H18N6S/c1-11-7-19-16(21-11)15-14(17-4-5-18-15)13-3-2-6-22(13)8-12-9-23-10-20-12/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyTWUXCEGJYXQLSO-CYBMUJFWSA-N
MW326.43 g/mol
LogP2.97
Rot. Bonds4

About 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125005088) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID125005088
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2nccnc2[C@H]2CCCN2Cc2cscn2)[nH]1
InChIInChI=1S/C16H18N6S/c1-11-7-19-16(21-11)15-14(17-4-5-18-15)13-3-2-6-22(13)8-12-9-23-10-20-12/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyTWUXCEGJYXQLSO-CYBMUJFWSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124945248
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
3,5-dimethyl-4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-1,2-oxazole
CID 99931192
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 110110617
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126787336
3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-methyl-6-(5-methyl-1H-imidazol-2-yl)-2-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrimidine
CID 110110520
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 125005088) is 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2nccnc2[C@H]2CCCN2Cc2cscn2)[nH]1.
What is the InChIKey of 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is TWUXCEGJYXQLSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N6S/c1-11-7-19-16(21-11)15-14(17-4-5-18-15)13-3-2-6-22(13)8-12-9-23-10-20-12/h4-5,7,9-10,13H,2-3,6,8H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125005088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).