2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

C19H28N4S — CID 124974214

IUPAC2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C(C)C)C3)n2)s1
InChIInChI=1S/C19H28N4S/c1-13(2)8-19-21-11-18(24-19)17-10-20-9-16(22-17)15-6-5-7-23(12-15)14(3)4/h9-11,13-15H,5-8,12H2,1-4H3/t15-/m1/s1
InChIKeyKPDZIAUZSGOKEZ-OAHLLOKOSA-N
MW344.53 g/mol
LogP4.39
Rot. Bonds5

About 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole

2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (PubChem CID 124974214) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
PubChem CID124974214
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C(C)C)C3)n2)s1
InChIInChI=1S/C19H28N4S/c1-13(2)8-19-21-11-18(24-19)17-10-20-9-16(22-17)15-6-5-7-23(12-15)14(3)4/h9-11,13-15H,5-8,12H2,1-4H3/t15-/m1/s1
InChIKeyKPDZIAUZSGOKEZ-OAHLLOKOSA-N
XLogP4.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

2-(2-methylpropyl)-5-[6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-thiazole
CID 110130923
5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125023963
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
N-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 124964857
N,N-dimethyl-6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 73440428
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
CID 125020252
4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 155983349
5-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 110254388
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 110131736
2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
CID 95821868
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 124977703
2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole (CID 124974214) is 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is CC(C)Cc1ncc(-c2cncc([C@@H]3CCCN(C(C)C)C3)n2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
The InChIKey is KPDZIAUZSGOKEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4S/c1-13(2)8-19-21-11-18(24-19)17-10-20-9-16(22-17)15-6-5-7-23(12-15)14(3)4/h9-11,13-15H,5-8,12H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole?
2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole has a molecular weight of 344.53 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 124974214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).