2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole

C17H24N4S — CID 110131736

IUPAC2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc(CC3CCCNC3)n2)s1
InChIInChI=1S/C17H24N4S/c1-12(2)6-17-20-11-16(22-17)15-10-19-9-14(21-15)7-13-4-3-5-18-8-13/h9-13,18H,3-8H2,1-2H3
InChIKeyYSIHSEARFHYSQU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole

2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole (PubChem CID 110131736) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
PubChem CID110131736
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc(CC3CCCNC3)n2)s1
InChIInChI=1S/C17H24N4S/c1-12(2)6-17-20-11-16(22-17)15-10-19-9-14(21-15)7-13-4-3-5-18-8-13/h9-13,18H,3-8H2,1-2H3
InChIKeyYSIHSEARFHYSQU-UHFFFAOYSA-N
XLogP3.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
2-(2-methylpyrazol-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrazine
CID 125014329
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
2-(2-methylpropyl)-5-[6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-thiazole
CID 110130923
3-[6-[[(3S)-piperidin-3-yl]methyl]pyrazin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 58303582
5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106260538
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
2-(piperidin-3-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102375
4-[6-[[(3R)-pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125005600
4-methoxy-6-(2-methylpropyl)-2-(piperidin-3-ylmethyl)pyrimidine
CID 82666679
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole (CID 110131736) is 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole is CC(C)Cc1ncc(-c2cncc(CC3CCCNC3)n2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
The InChIKey is YSIHSEARFHYSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12(2)6-17-20-11-16(22-17)15-10-19-9-14(21-15)7-13-4-3-5-18-8-13/h9-13,18H,3-8H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole?
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110131736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).