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

C17H20N6S — CID 125018235

IUPAC5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cnc(C[C@H]3CCN(Cc4cncs4)C3)cn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-5-21-17(22-12)16-8-19-14(6-20-16)4-13-2-3-23(9-13)10-15-7-18-11-24-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyXNHGPYRVVPKERR-CYBMUJFWSA-N
MW340.46 g/mol
LogP2.70
Rot. Bonds5

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

5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125018235) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID125018235
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(-c2cnc(C[C@H]3CCN(Cc4cncs4)C3)cn2)[nH]1
InChIInChI=1S/C17H20N6S/c1-12-5-21-17(22-12)16-8-19-14(6-20-16)4-13-2-3-23(9-13)10-15-7-18-11-24-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyXNHGPYRVVPKERR-CYBMUJFWSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099660
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
2-(5-methyl-1H-imidazol-2-yl)-5-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110099748
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100807
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
4-[[(3R)-3-[[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]benzoic acid
CID 124991175
(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine
CID 124983883
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 125018235) is 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1cnc(-c2cnc(C[C@H]3CCN(Cc4cncs4)C3)cn2)[nH]1.
What is the InChIKey of 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XNHGPYRVVPKERR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6S/c1-12-5-21-17(22-12)16-8-19-14(6-20-16)4-13-2-3-23(9-13)10-15-7-18-11-24-15/h5-8,11,13H,2-4,9-10H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125018235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).