N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C17H18N6S — CID 175659249

IUPACN-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESc1ccc(CN2CCCC2c2cncc(Nc3nccs3)n2)nc1
InChIInChI=1S/C17H18N6S/c1-2-6-19-13(4-1)12-23-8-3-5-15(23)14-10-18-11-16(21-14)22-17-20-7-9-24-17/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,20,21,22)
InChIKeyFTNMLOAYCCOFTK-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.41
Rot. Bonds5

About N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 175659249) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID175659249
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC NameN-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESc1ccc(CN2CCCC2c2cncc(Nc3nccs3)n2)nc1
InChIInChI=1S/C17H18N6S/c1-2-6-19-13(4-1)12-23-8-3-5-15(23)14-10-18-11-16(21-14)22-17-20-7-9-24-17/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,20,21,22)
InChIKeyFTNMLOAYCCOFTK-UHFFFAOYSA-N
XLogP3.41
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[6-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659672
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836155
N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836178
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 95835668
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
N-[6-[(2S)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 95836146
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 175659249) is N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is c1ccc(CN2CCCC2c2cncc(Nc3nccs3)n2)nc1.
What is the InChIKey of N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is FTNMLOAYCCOFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-2-6-19-13(4-1)12-23-8-3-5-15(23)14-10-18-11-16(21-14)22-17-20-7-9-24-17/h1-2,4,6-7,9-11,15H,3,5,8,12H2,(H,20,21,22).
What are the key properties of N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 338.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175659249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).